GitHub - xiaoruiDong/conformer_generation: A module with expertise in molecular and transition state conformer generation

xiaoruiDong / conformer_generation Public

A module with expertise in molecular and transition state conformer generation

Notifications

Name		Name	Last commit message	Last commit date
Latest commit History 336 Commits
calculator		calculator
embedder		embedder
optimizer		optimizer
pruner		pruner
task		task
verifier		verifier
__init__.py		__init__.py
align.py		align.py
decoder.py		decoder.py
generators.py		generators.py
metrics.py		metrics.py
sampler.py		sampler.py
ts_generators.py		ts_generators.py
ts_guessers.py		ts_guessers.py
ts_verifiers.py		ts_verifiers.py
utils.py		utils.py