ChemGPT-cancer

The model based on ChemGPT-4.7M by using the software transformers(version 4.20.1), pytorch(version 1.12.1+cu102),and selfies(version 1.0.X)

unzip '*.zip'

Finetune training to obtain ChemGPT-cancer:

python gpt_for_anticancer.py

python gpt3_gen_cancer.py

Name		Name	Last commit message	Last commit date
Latest commit History 7 Commits
README.md		README.md
all_gen.zip		all_gen.zip
datasets.zip		datasets.zip
generated_smiles_10_n.smi		generated_smiles_10_n.smi
generated_smiles_1_n.smi		generated_smiles_1_n.smi
generated_smiles_2_n.smi		generated_smiles_2_n.smi
generated_smiles_3_n.smi		generated_smiles_3_n.smi
generated_smiles_4_n.smi		generated_smiles_4_n.smi
generated_smiles_5_n.smi		generated_smiles_5_n.smi
generated_smiles_6_n.smi		generated_smiles_6_n.smi
generated_smiles_7_n.smi		generated_smiles_7_n.smi
generated_smiles_8_n.smi		generated_smiles_8_n.smi
generated_smiles_9_n.smi		generated_smiles_9_n.smi
gpt3_gen_cancer.py		gpt3_gen_cancer.py
gpt_for_anticancer.py		gpt_for_anticancer.py
ncfrey.zip		ncfrey.zip
output_model.zip		output_model.zip
read_sav.py		read_sav.py
run_smi.bash		run_smi.bash