PyPI page
Author:
Alston Lo
Summary:
Fast Organic Crystal Structure Prediction with Unit Cell Flow Matching
Latest version:
0.1.11
Required dependencies:
ase
|
average-minimum-distance
|
einops
|
gemmi
|
huggingface-hub
|
jsonargparse
|
lightning
|
networkx
|
numpy
|
polars
|
pymatgen
|
rdkit
|
scipy
|
torch
|
torch-geometric
|
tqdm
|
typing-extensions
Optional dependencies:
fairchem-core
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