Molecular Generation with GDB-13 dataset

Setup

cd ..
mkdir GDB_Generation_project
mv Molecular_Generation_with_GDB13 GDB_Generation_project/

Setup a conda envirement:

cd Molecular_Generation_with_GDB13
conda env create --file=environment.yml
conda activate molgen

Name		Name	Last commit message	Last commit date
Latest commit History 79 Commits
run_templates		run_templates
src		src
.gitignore		.gitignore
README.md		README.md
accelerate_cpu_config.yaml		accelerate_cpu_config.yaml
accelerate_eval_config.yaml		accelerate_eval_config.yaml
accelerate_fsdp_config.yaml		accelerate_fsdp_config.yaml
accelerate_fsdp_config_1.yaml		accelerate_fsdp_config_1.yaml
accelerate_fsdp_config_2.yaml		accelerate_fsdp_config_2.yaml
accelerate_fsdp_config_3.yaml		accelerate_fsdp_config_3.yaml
accelerate_fsdp_config_4.yaml		accelerate_fsdp_config_4.yaml
accelerate_fsdp_config_4gpu.yaml		accelerate_fsdp_config_4gpu.yaml
accelerate_fsdp_config_5.yaml		accelerate_fsdp_config_5.yaml
accelerate_fsdp_config_6.yaml		accelerate_fsdp_config_6.yaml
accelerate_fsdp_config_7.yaml		accelerate_fsdp_config_7.yaml
accelerate_fsdp_config_8.yaml		accelerate_fsdp_config_8.yaml
accelerate_gen_config.yaml		accelerate_gen_config.yaml
accelerate_local_config.yaml		accelerate_local_config.yaml
environment.yml		environment.yml