DeepModeling
DeepModeling
dpdispatcher
generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish
jax-fem
Differentiable Finite Element Method with JAX
reacnetgenerator
an automatic reaction network generator for reactive molecular dynamics simulation
dpti
A Python Package to Automate Thermodynamic Integration Calculations for Free Energy
DeePTB
DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.
CrystalFormer
Space Group Informed Transformer for Crystalline Materials Generation
dpgen2
2nd generation of the Deep Potential GENerator
deepmd-gnn
DeePMD-kit plugin for various graph neural network models