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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 modelsAI4Science101
AI for Sciencecommunity
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 toolkitargs
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