kcon k-Bags Convolutional Neural Network

tensoralloy Tensor-graph based machine learning framework for metal alloys.

TCCL-Code Code and scripts for theoretical and computational chemistry, developed in TCCL, Department of Chemistry, Tsinghua University. These scripts read the out put of ADF, CP2K, Dmol3, Gaussian, NWChem, Molpro program.

EOS Equation Of State Library.

lammps Public development project of the LAMMPS MD software package

pymatgen Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.

sc21

singularity-eos Performance portable equations of state and mixed cell closures

snap Repository for SNAP model development

vap The Virtual-Atom Approach for constructing symmetry function based atomistic neural network potentials

Bismarrck 🏢  北京应用物理与计算数学研究所 V2EX member #49107, joined on 2013-11-08 12:32:25 +08:00 3 57 34