crystals

Here are 6 public repositories matching this topic...

Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023

material chemistry geometry biology proteins physics drugs group symmetry molecules 3d crystals invariance equivariance 3d-structures ai4science

Molecular Crystal Simulation Library (mcse) is an open-source Python package for manipulating and analyzing molecular crystal structures

python machine-learning dft analysis crystallography generation polymorphism molecular rmsd polymorph molecular-crystals crystals

Library and utilities for training volume estimation models with PyMoVE.

A game of life that runs in a hexagonal grid to simulate crystals and snowflakes!

Python module `dualgrid` for generating arbitrary rhombic tilings in arbitrary numbers of dimensions, based on the de Bruijn grid method.

generator graphs mathematics aperiodicity periodicity crystals quasicrystal ndimensions

A deep generative modeling architecture for designing lattice constrained materials

To associate your repository with the crystals topic, visit your repo's landing page and select "manage topics."