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Datasets:
virx
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cheapvs_llm
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ViRx
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xet
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cheapvs_llm
674 MB
3 contributors
History:
5 commits
Sang Truong
update
c729748
10 months ago
20_targets
update
10 months ago
__pycache__
add data
10 months ago
cheapvs_llm
add data
10 months ago
configs
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10 months ago
scripts
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10 months ago
utils
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10 months ago
.gitattributes
2.55 kB
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10 months ago
convert_enamine.py
2.26 kB
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10 months ago
dock.py
1.63 kB
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10 months ago
dock2.py
721 Bytes
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10 months ago
download_enamine.py
7.24 kB
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10 months ago
enamine_smiles_1B.txt
361 MB
xet
add data
10 months ago
lig_llm.csv
987 kB
xet
add data
10 months ago
lig_llm_prop.csv
13.2 MB
xet
add data
10 months ago
llm.py
1 kB
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10 months ago
notebook.ipynb
278 kB
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10 months ago
smiles_sampled_20k.txt
967 kB
xet
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10 months ago
smiles_sampled_50k.txt
2.4 MB
xet
update
10 months ago
vina_gpu.py
20.5 kB
add data
10 months ago
