PyPI page
Home page
Author:
Zhen Liu
License:
MIT
Summary:
Generating Low-energy 3D Conformers from SMILES/SDF
Latest version:
3.2.1
Required dependencies:
aimnet
|
numpy
|
pandas
|
psutil
|
pydantic
|
pyyaml
|
rdkit
|
requests
|
rich
|
send2trash
|
torch
|
tqdm
|
typer
Optional dependencies:
ase
|
auto3d
|
mypy
|
myst-parser
|
nbsphinx
|
pre-commit
|
pytest
|
pytest-cov
|
pytest-timeout
|
ruff
|
sphinx
|
sphinx-rtd-theme
|
torchani
|
types-requests
Downloads last day:
24
Downloads last week:
344
Downloads last month:
230
7-day smoothing