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Duplicate from MolGen/llama_ZINC_1B-raw_tokenizer_bpe_None_SAFE_500_0_0.1_f025f239
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- .gitattributes +106 -0
- run_history.csv +0 -0
- tmp-spec-checkpoint-10000/config.json +30 -0
- tmp-spec-checkpoint-10000/generated_smiles.csv +0 -0
- tmp-spec-checkpoint-10000/generated_smiles_100k.csv +0 -0
- tmp-spec-checkpoint-10000/generated_smiles_100k_0.csv +0 -0
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- tmp-spec-checkpoint-10000/generated_smiles_1M.csv +3 -0
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- tmp-spec-checkpoint-10000/generated_smiles_1M_2.csv +3 -0
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- tmp-spec-checkpoint-10000/generated_smiles_30k_2.csv +0 -0
- tmp-spec-checkpoint-10000/pytorch_model.bin +3 -0
- tmp-spec-checkpoint-10000/result_FCD_Frag_Scaf.json +15 -0
- tmp-spec-checkpoint-10000/result_SA_wasserstein.json +7 -0
- tmp-spec-checkpoint-10000/result_novelty_total.json +3 -0
- tmp-spec-checkpoint-10000/result_unique@1k_unique@10k_IntDiv_IntDiv2_logP_wasserstein_QED_wasserstein_weight_wasserstein_NP_wasserstein.json +23 -0
- tmp-spec-checkpoint-10000/special_tokens_map.json +30 -0
- tmp-spec-checkpoint-10000/tokenizer.json +1079 -0
- tmp-spec-checkpoint-10000/tokenizer_config.json +43 -0
- tmp-spec-checkpoint-10000/training_args.bin +3 -0
- tmp-spec-checkpoint-15000/config.json +30 -0
- tmp-spec-checkpoint-15000/generated_smiles.csv +0 -0
- tmp-spec-checkpoint-15000/generated_smiles_100k.csv +0 -0
- tmp-spec-checkpoint-15000/generated_smiles_100k_0.csv +0 -0
- tmp-spec-checkpoint-15000/generated_smiles_100k_1.csv +0 -0
- tmp-spec-checkpoint-15000/generated_smiles_100k_2.csv +0 -0
- tmp-spec-checkpoint-15000/generated_smiles_1M.csv +3 -0
- tmp-spec-checkpoint-15000/generated_smiles_1M_0.csv +3 -0
- tmp-spec-checkpoint-15000/generated_smiles_1M_1.csv +3 -0
- tmp-spec-checkpoint-15000/generated_smiles_1M_2.csv +3 -0
- tmp-spec-checkpoint-15000/generated_smiles_30k.csv +0 -0
- tmp-spec-checkpoint-15000/generated_smiles_30k_0.csv +0 -0
- tmp-spec-checkpoint-15000/generated_smiles_30k_1.csv +0 -0
- tmp-spec-checkpoint-15000/generated_smiles_30k_2.csv +0 -0
- tmp-spec-checkpoint-15000/pytorch_model.bin +3 -0
- tmp-spec-checkpoint-15000/result_FCD_Frag_Scaf.json +15 -0
- tmp-spec-checkpoint-15000/result_SA_wasserstein.json +7 -0
- tmp-spec-checkpoint-15000/result_novelty_total.json +3 -0
- tmp-spec-checkpoint-15000/result_unique@1k_unique@10k_IntDiv_IntDiv2_logP_wasserstein_QED_wasserstein_weight_wasserstein_NP_wasserstein.json +23 -0
- tmp-spec-checkpoint-15000/special_tokens_map.json +30 -0
- tmp-spec-checkpoint-15000/tokenizer.json +1079 -0
- tmp-spec-checkpoint-15000/tokenizer_config.json +43 -0
- tmp-spec-checkpoint-15000/training_args.bin +3 -0
- tmp-spec-checkpoint-20000/config.json +30 -0
- tmp-spec-checkpoint-20000/generated_smiles.csv +0 -0
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{
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"attention_bias": false,
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"model_type": "llama",
|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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|
| 25 |
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|
| 26 |
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|
| 27 |
+
"use_cache": true,
|
| 28 |
+
"use_flash_attn": true,
|
| 29 |
+
"vocab_size": 500
|
| 30 |
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}
|
tmp-spec-checkpoint-10000/generated_smiles.csv
ADDED
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tmp-spec-checkpoint-10000/generated_smiles_100k.csv
ADDED
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tmp-spec-checkpoint-10000/generated_smiles_100k_0.csv
ADDED
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tmp-spec-checkpoint-10000/generated_smiles_100k_1.csv
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tmp-spec-checkpoint-10000/generated_smiles_100k_2.csv
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tmp-spec-checkpoint-10000/generated_smiles_1M.csv
ADDED
|
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size 49113906
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tmp-spec-checkpoint-10000/generated_smiles_1M_0.csv
ADDED
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size 49122568
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tmp-spec-checkpoint-10000/generated_smiles_1M_1.csv
ADDED
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size 49117004
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tmp-spec-checkpoint-10000/generated_smiles_1M_2.csv
ADDED
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version https://git-lfs.github.com/spec/v1
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size 49124671
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tmp-spec-checkpoint-10000/generated_smiles_30k.csv
ADDED
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The diff for this file is too large to render.
See raw diff
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tmp-spec-checkpoint-10000/generated_smiles_30k_0.csv
ADDED
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The diff for this file is too large to render.
See raw diff
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tmp-spec-checkpoint-10000/generated_smiles_30k_1.csv
ADDED
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The diff for this file is too large to render.
See raw diff
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tmp-spec-checkpoint-10000/generated_smiles_30k_2.csv
ADDED
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The diff for this file is too large to render.
See raw diff
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tmp-spec-checkpoint-10000/pytorch_model.bin
ADDED
|
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version https://git-lfs.github.com/spec/v1
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| 3 |
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size 63988303
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tmp-spec-checkpoint-10000/result_FCD_Frag_Scaf.json
ADDED
|
@@ -0,0 +1,15 @@
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{
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|
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|
| 5 |
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| 6 |
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|
| 7 |
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|
| 8 |
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|
| 9 |
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| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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|
| 14 |
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|
| 15 |
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|
tmp-spec-checkpoint-10000/result_SA_wasserstein.json
ADDED
|
@@ -0,0 +1,7 @@
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|
| 1 |
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{
|
| 2 |
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"validity": 1.0,
|
| 3 |
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"SA_wasserstein": {
|
| 4 |
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"SA_wasserstein": 0.01218453593582843,
|
| 5 |
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"SA_wasserstein/test": 0.02427577095256578
|
| 6 |
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|
| 7 |
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|
tmp-spec-checkpoint-10000/result_novelty_total.json
ADDED
|
@@ -0,0 +1,3 @@
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|
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|
| 1 |
+
{
|
| 2 |
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"novelty_total": 0.9989896132239421
|
| 3 |
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}
|
tmp-spec-checkpoint-10000/result_unique@1k_unique@10k_IntDiv_IntDiv2_logP_wasserstein_QED_wasserstein_weight_wasserstein_NP_wasserstein.json
ADDED
|
@@ -0,0 +1,23 @@
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|
| 1 |
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{
|
| 2 |
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"validity": 1.0,
|
| 3 |
+
"unique@1k": 1.0,
|
| 4 |
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"unique@10k": 1.0,
|
| 5 |
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"IntDiv": 0.8530697739863866,
|
| 6 |
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"IntDiv2": 0.8490016574596786,
|
| 7 |
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|
| 8 |
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|
| 9 |
+
"logP_wasserstein/test": 0.06121026460140247
|
| 10 |
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|
| 11 |
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|
| 12 |
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|
| 13 |
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"QED_wasserstein/test": 0.018744364409625035
|
| 14 |
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|
| 15 |
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|
| 16 |
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"weight_wasserstein": 1.3463467847915147,
|
| 17 |
+
"weight_wasserstein/test": 2.8664931542551972
|
| 18 |
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},
|
| 19 |
+
"NP_wasserstein": {
|
| 20 |
+
"NP_wasserstein": 0.017306424772239322,
|
| 21 |
+
"NP_wasserstein/test": 0.04366424484415184
|
| 22 |
+
}
|
| 23 |
+
}
|
tmp-spec-checkpoint-10000/special_tokens_map.json
ADDED
|
@@ -0,0 +1,30 @@
|
|
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|
|
|
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|
|
| 1 |
+
{
|
| 2 |
+
"bos_token": {
|
| 3 |
+
"content": "<bos>",
|
| 4 |
+
"lstrip": false,
|
| 5 |
+
"normalized": false,
|
| 6 |
+
"rstrip": false,
|
| 7 |
+
"single_word": false
|
| 8 |
+
},
|
| 9 |
+
"eos_token": {
|
| 10 |
+
"content": "<eos>",
|
| 11 |
+
"lstrip": false,
|
| 12 |
+
"normalized": false,
|
| 13 |
+
"rstrip": false,
|
| 14 |
+
"single_word": false
|
| 15 |
+
},
|
| 16 |
+
"pad_token": {
|
| 17 |
+
"content": "<pad>",
|
| 18 |
+
"lstrip": false,
|
| 19 |
+
"normalized": false,
|
| 20 |
+
"rstrip": false,
|
| 21 |
+
"single_word": false
|
| 22 |
+
},
|
| 23 |
+
"unk_token": {
|
| 24 |
+
"content": "<unk>",
|
| 25 |
+
"lstrip": false,
|
| 26 |
+
"normalized": false,
|
| 27 |
+
"rstrip": false,
|
| 28 |
+
"single_word": false
|
| 29 |
+
}
|
| 30 |
+
}
|
tmp-spec-checkpoint-10000/tokenizer.json
ADDED
|
@@ -0,0 +1,1079 @@
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|
| 1 |
+
{
|
| 2 |
+
"version": "1.0",
|
| 3 |
+
"truncation": null,
|
| 4 |
+
"padding": null,
|
| 5 |
+
"added_tokens": [
|
| 6 |
+
{
|
| 7 |
+
"id": 0,
|
| 8 |
+
"content": "<unk>",
|
| 9 |
+
"single_word": false,
|
| 10 |
+
"lstrip": false,
|
| 11 |
+
"rstrip": false,
|
| 12 |
+
"normalized": false,
|
| 13 |
+
"special": true
|
| 14 |
+
},
|
| 15 |
+
{
|
| 16 |
+
"id": 1,
|
| 17 |
+
"content": "<pad>",
|
| 18 |
+
"single_word": false,
|
| 19 |
+
"lstrip": false,
|
| 20 |
+
"rstrip": false,
|
| 21 |
+
"normalized": false,
|
| 22 |
+
"special": true
|
| 23 |
+
},
|
| 24 |
+
{
|
| 25 |
+
"id": 2,
|
| 26 |
+
"content": "<bos>",
|
| 27 |
+
"single_word": false,
|
| 28 |
+
"lstrip": false,
|
| 29 |
+
"rstrip": false,
|
| 30 |
+
"normalized": false,
|
| 31 |
+
"special": true
|
| 32 |
+
},
|
| 33 |
+
{
|
| 34 |
+
"id": 3,
|
| 35 |
+
"content": "<eos>",
|
| 36 |
+
"single_word": false,
|
| 37 |
+
"lstrip": false,
|
| 38 |
+
"rstrip": false,
|
| 39 |
+
"normalized": false,
|
| 40 |
+
"special": true
|
| 41 |
+
}
|
| 42 |
+
],
|
| 43 |
+
"normalizer": null,
|
| 44 |
+
"pre_tokenizer": null,
|
| 45 |
+
"post_processor": {
|
| 46 |
+
"type": "TemplateProcessing",
|
| 47 |
+
"single": [
|
| 48 |
+
{
|
| 49 |
+
"SpecialToken": {
|
| 50 |
+
"id": "<bos>",
|
| 51 |
+
"type_id": 0
|
| 52 |
+
}
|
| 53 |
+
},
|
| 54 |
+
{
|
| 55 |
+
"Sequence": {
|
| 56 |
+
"id": "A",
|
| 57 |
+
"type_id": 0
|
| 58 |
+
}
|
| 59 |
+
},
|
| 60 |
+
{
|
| 61 |
+
"SpecialToken": {
|
| 62 |
+
"id": "<eos>",
|
| 63 |
+
"type_id": 0
|
| 64 |
+
}
|
| 65 |
+
}
|
| 66 |
+
],
|
| 67 |
+
"pair": [
|
| 68 |
+
{
|
| 69 |
+
"Sequence": {
|
| 70 |
+
"id": "A",
|
| 71 |
+
"type_id": 0
|
| 72 |
+
}
|
| 73 |
+
},
|
| 74 |
+
{
|
| 75 |
+
"Sequence": {
|
| 76 |
+
"id": "B",
|
| 77 |
+
"type_id": 1
|
| 78 |
+
}
|
| 79 |
+
}
|
| 80 |
+
],
|
| 81 |
+
"special_tokens": {
|
| 82 |
+
"<bos>": {
|
| 83 |
+
"id": "<bos>",
|
| 84 |
+
"ids": [
|
| 85 |
+
2
|
| 86 |
+
],
|
| 87 |
+
"tokens": [
|
| 88 |
+
"<bos>"
|
| 89 |
+
]
|
| 90 |
+
},
|
| 91 |
+
"<eos>": {
|
| 92 |
+
"id": "<eos>",
|
| 93 |
+
"ids": [
|
| 94 |
+
3
|
| 95 |
+
],
|
| 96 |
+
"tokens": [
|
| 97 |
+
"<eos>"
|
| 98 |
+
]
|
| 99 |
+
}
|
| 100 |
+
}
|
| 101 |
+
},
|
| 102 |
+
"decoder": {
|
| 103 |
+
"type": "BPEDecoder",
|
| 104 |
+
"suffix": "</w>"
|
| 105 |
+
},
|
| 106 |
+
"model": {
|
| 107 |
+
"type": "BPE",
|
| 108 |
+
"dropout": 0.1,
|
| 109 |
+
"unk_token": "<unk>",
|
| 110 |
+
"continuing_subword_prefix": null,
|
| 111 |
+
"end_of_word_suffix": null,
|
| 112 |
+
"fuse_unk": false,
|
| 113 |
+
"byte_fallback": false,
|
| 114 |
+
"ignore_merges": false,
|
| 115 |
+
"vocab": {
|
| 116 |
+
"<unk>": 0,
|
| 117 |
+
"<pad>": 1,
|
| 118 |
+
"<bos>": 2,
|
| 119 |
+
"<eos>": 3,
|
| 120 |
+
"#": 4,
|
| 121 |
+
"%": 5,
|
| 122 |
+
"(": 6,
|
| 123 |
+
")": 7,
|
| 124 |
+
"+": 8,
|
| 125 |
+
"-": 9,
|
| 126 |
+
".": 10,
|
| 127 |
+
"0": 11,
|
| 128 |
+
"1": 12,
|
| 129 |
+
"2": 13,
|
| 130 |
+
"3": 14,
|
| 131 |
+
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|
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|
| 1031 |
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".c18 cn",
|
| 1032 |
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|
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".C1 8CC",
|
| 1034 |
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|
| 1035 |
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|
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|
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|
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|
| 1040 |
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|
| 1041 |
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|
| 1042 |
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|
| 1043 |
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|
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|
| 1045 |
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|
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|
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|
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|
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|
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|
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|
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|
| 1055 |
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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|
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| 1077 |
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|
| 1078 |
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|
| 1079 |
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|
tmp-spec-checkpoint-10000/tokenizer_config.json
ADDED
|
@@ -0,0 +1,43 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
|
|
|
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|
|
|
|
|
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|
|
|
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|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
{
|
| 2 |
+
"added_tokens_decoder": {
|
| 3 |
+
"0": {
|
| 4 |
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|
| 5 |
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"lstrip": false,
|
| 6 |
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|
| 7 |
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"rstrip": false,
|
| 8 |
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|
| 9 |
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|
| 10 |
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|
| 11 |
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"1": {
|
| 12 |
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"content": "<pad>",
|
| 13 |
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|
| 14 |
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"normalized": false,
|
| 15 |
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"rstrip": false,
|
| 16 |
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"single_word": false,
|
| 17 |
+
"special": true
|
| 18 |
+
},
|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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"normalized": false,
|
| 23 |
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|
| 24 |
+
"single_word": false,
|
| 25 |
+
"special": true
|
| 26 |
+
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|
| 27 |
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"3": {
|
| 28 |
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"content": "<eos>",
|
| 29 |
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|
| 30 |
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"normalized": false,
|
| 31 |
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"rstrip": false,
|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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|
| 38 |
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|
| 39 |
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| 40 |
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|
| 41 |
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|
| 42 |
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"unk_token": "<unk>"
|
| 43 |
+
}
|
tmp-spec-checkpoint-10000/training_args.bin
ADDED
|
@@ -0,0 +1,3 @@
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size 6584
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tmp-spec-checkpoint-15000/config.json
ADDED
|
@@ -0,0 +1,30 @@
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|
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|
| 28 |
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|
| 29 |
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"vocab_size": 500
|
| 30 |
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tmp-spec-checkpoint-15000/generated_smiles.csv
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ADDED
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tmp-spec-checkpoint-15000/pytorch_model.bin
ADDED
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tmp-spec-checkpoint-15000/result_FCD_Frag_Scaf.json
ADDED
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tmp-spec-checkpoint-15000/result_SA_wasserstein.json
ADDED
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tmp-spec-checkpoint-15000/result_novelty_total.json
ADDED
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@@ -0,0 +1,3 @@
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tmp-spec-checkpoint-15000/result_unique@1k_unique@10k_IntDiv_IntDiv2_logP_wasserstein_QED_wasserstein_weight_wasserstein_NP_wasserstein.json
ADDED
|
@@ -0,0 +1,23 @@
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{
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| 22 |
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}
|
| 23 |
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tmp-spec-checkpoint-15000/special_tokens_map.json
ADDED
|
@@ -0,0 +1,30 @@
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|
| 1 |
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{
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| 2 |
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| 3 |
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| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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| 9 |
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| 10 |
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| 11 |
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|
| 12 |
+
"normalized": false,
|
| 13 |
+
"rstrip": false,
|
| 14 |
+
"single_word": false
|
| 15 |
+
},
|
| 16 |
+
"pad_token": {
|
| 17 |
+
"content": "<pad>",
|
| 18 |
+
"lstrip": false,
|
| 19 |
+
"normalized": false,
|
| 20 |
+
"rstrip": false,
|
| 21 |
+
"single_word": false
|
| 22 |
+
},
|
| 23 |
+
"unk_token": {
|
| 24 |
+
"content": "<unk>",
|
| 25 |
+
"lstrip": false,
|
| 26 |
+
"normalized": false,
|
| 27 |
+
"rstrip": false,
|
| 28 |
+
"single_word": false
|
| 29 |
+
}
|
| 30 |
+
}
|
tmp-spec-checkpoint-15000/tokenizer.json
ADDED
|
@@ -0,0 +1,1079 @@
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|
tmp-spec-checkpoint-15000/tokenizer_config.json
ADDED
|
@@ -0,0 +1,43 @@
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|
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|
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|
|
|
|
|
|
|
|
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|
|
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|
|
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|
|
|
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|
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|
| 1 |
+
{
|
| 2 |
+
"added_tokens_decoder": {
|
| 3 |
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"0": {
|
| 4 |
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"content": "<unk>",
|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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|
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|
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|
| 11 |
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|
| 12 |
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"content": "<pad>",
|
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|
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|
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|
| 16 |
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|
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|
| 18 |
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|
| 19 |
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|
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|
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|
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|
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|
| 25 |
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|
| 26 |
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|
| 27 |
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|
| 28 |
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"content": "<eos>",
|
| 29 |
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|
| 30 |
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|
| 31 |
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|
| 32 |
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|
| 33 |
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|
| 34 |
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|
| 35 |
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},
|
| 36 |
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|
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"clean_up_tokenization_spaces": true,
|
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"tokenizer_class": "PreTrainedTokenizerFast",
|
| 42 |
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"unk_token": "<unk>"
|
| 43 |
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}
|
tmp-spec-checkpoint-15000/training_args.bin
ADDED
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version https://git-lfs.github.com/spec/v1
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| 2 |
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oid sha256:4a2d9385265875a0ddfc74277788484fe87d0926d7a0785a0fcc25aec01805fc
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| 3 |
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size 6584
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tmp-spec-checkpoint-20000/config.json
ADDED
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|
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{
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| 7 |
+
"fused_dropout_add_ln": false,
|
| 8 |
+
"fused_mlp": false,
|
| 9 |
+
"hidden_act": "silu",
|
| 10 |
+
"hidden_size": 512,
|
| 11 |
+
"initializer_range": 0.02,
|
| 12 |
+
"intermediate_size": 1024,
|
| 13 |
+
"max_position_embeddings": 2048,
|
| 14 |
+
"max_seq_length": 64,
|
| 15 |
+
"mlp_bias": false,
|
| 16 |
+
"model_type": "llama",
|
| 17 |
+
"num_attention_heads": 8,
|
| 18 |
+
"num_hidden_layers": 12,
|
| 19 |
+
"num_key_value_heads": 8,
|
| 20 |
+
"pretraining_tp": 1,
|
| 21 |
+
"residual_in_fp32": true,
|
| 22 |
+
"rms_norm_eps": 1e-06,
|
| 23 |
+
"rope_scaling": null,
|
| 24 |
+
"rope_theta": 10000.0,
|
| 25 |
+
"tie_word_embeddings": false,
|
| 26 |
+
"transformers_version": "4.44.2",
|
| 27 |
+
"use_cache": true,
|
| 28 |
+
"use_flash_attn": true,
|
| 29 |
+
"vocab_size": 500
|
| 30 |
+
}
|
tmp-spec-checkpoint-20000/generated_smiles.csv
ADDED
|
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|
|
|