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deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamicsUni-Mol
Official Repository for the Uni-Mol Series Methodsdpgen
The deep potential generator to generate a deep-learning based model of interatomic potential energy and force fieldjax-fem
Differentiable Finite Element Method with JAXdpdata
A Python package for manipulating atomistic data of software in computational scienceDMFF
DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.deepks-kit
a package for developing machine learning-based chemically accurate energy and density functional modelscommunity
DeepModeling community contentreacnetgenerator
an automatic reaction network generator for reactive molecular dynamics simulationCrystalFormer
Space Group Informed Transformer for Crystalline Materials GenerationDeePTB
DeePTB: A deep learning package for tight-binding approach with ab initio accuracy.rid-kit
Reinforced dynamicsdpdispatcher
generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finishAPEX
APEX: Alloy Properties EXplorer using simulationsdpti
A Python Package to Automate Thermodynamic Integration Calculations for Free Energyopenlam
tutorials
Tutorials for DeepModeling projects.AIS-Square
SC21_DP_Tutorial
SC21_DP_Tutorialdpgui
A web-based GUI for user inputstbplas
Repository of TBPLaS (tight-binding package for large-scale simulation)dargs
Argument processing for the deep modeling project.workflows
reusing workflows and images for GitHub ActionsGROMACS
mirror of https://gitlab.com/deepmodeling/gromacsdftio
dftio is to assist machine learning communities to transcript DFT output into a format that is easy to read or used by machine learning models.tutorials-cn
Psi-k_workshop_Nov21_Tutorial
docs
The home page of DeepModeling documentation.deepmodeling-projects
DeepModeling projectsDeePDih
Deep Potential driven molecular dihedral scan toolkitfpop
args
DeepModeling dargs arguments generationdeepmodeling_sphinx
Sphinx extension for DeepModeling projectsdeepmodeling.github.io
The official website of DeepModelingAIP-chapter-tutorial
blog
DeepModeling BlogLove Open Source and this site? Check out how you can help us