Similar repositories to libAtoms/pymatnest:

• libAtoms/pymatnest github similar
• jnwei/neural_reaction_fingerprint github similar
• argonne-lcf/active-learning-md github similar
• dilkins/TENSOAP github similar
• materialsvirtuallab/veidt github similar
• libAtoms/GAP github similar
• scafacos/scafacos github similar
• libAtoms/matscipy github similar
• Atomistica/atomistica github similar
• js850/nested_sampling github similar
• tsudalab/MDTS github similar
• materialsvirtuallab/snap github similar
• SINGROUP/SOAPLite github similar
• JuliaMolSim/JuLIP.jl github similar
• materialsproject/pymatgen-db github similar
• abelcarreras/phonolammps github similar
• materialsvirtuallab/pymatgen-diffusion github similar
• BingqingCheng/ASAP github similar
• google/differentiable-atomistic-potentials github similar
• libAtoms/QUIP github similar
• materialsintelligence/propnet github similar
• shankar1729/jdftx github similar
• orex/supercell github similar
• theochem/tinydft github similar
• OpenACCUserGroup/openacc-users-group github similar
• Teoroo-CMC/PiNN github similar
• gabrielelanaro/chemview github similar
• SUNCAT-Center/CatLearn github similar
• giovannipizzi/seekpath github similar
• materialsproject/custodian github similar
• jkitchin/vasp github similar
• mir-group/flare github similar
• hackingmaterials/automatminer github similar
• wannier-developers/wannier90 github similar
• phonopy/phonopy github similar
• aspuru-guzik-group/ORGANIC github similar
• SMTG-UCL/sumo github similar
• SINGROUP/dscribe github similar
• spglib/spglib github similar
• materialsvirtuallab/matgenb github similar