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Datasets:

virx
/

cheapvs_llm

Dataset card Files Files and versions

674 MB

3 contributors

History: 5 commits

Sang Truong

update

c729748 8 months ago

20_targets
update 8 months ago
__pycache__
add data 8 months ago
cheapvs_llm
add data 8 months ago
configs
add data 8 months ago
scripts
add data 8 months ago
utils
add data 8 months ago
.gitattributes

2.55 kB

add data 8 months ago
convert_enamine.py

2.26 kB

add data 8 months ago
dock.py

1.63 kB

add data 8 months ago
dock2.py

721 Bytes

add data 8 months ago
download_enamine.py

7.24 kB

add data 8 months ago
enamine_smiles_1B.txt

361 MB
xet

add data 8 months ago
lig_llm.csv

987 kB
xet

add data 8 months ago
lig_llm_prop.csv

13.2 MB
xet

add data 8 months ago
llm.py

1 kB

add data 8 months ago
notebook.ipynb

278 kB

add data 8 months ago
smiles_sampled_20k.txt

967 kB
xet

add data 8 months ago
smiles_sampled_50k.txt

2.4 MB
xet

update 8 months ago
vina_gpu.py

20.5 kB

add data 8 months ago