Alternatives and similar repositories for moltemplate

Users that are interested in moltemplate are comparing it to the libraries listed below

• simongravelle / lammps-input-files
  LAMMPS inputs and data files
  ☆283Updated last year
• CompPhysVienna / n2p2
  n2p2 - A Neural Network Potential Package
  ☆241Updated 8 months ago
• deepmodeling / dpdata
  A Python package for manipulating atomistic data of software in computational science
  ☆235Updated this week
• paduagroup / fftool
  Tool to build force field input files for molecular simulation
  ☆182Updated 9 months ago
• mrkllntschpp / lammps-tutorials
  LAMMPS tutorials for Beginners
  ☆421Updated 2 years ago
• m3g / packmol
  Packmol - Initial configurations for molecular dynamics simulations
  ☆313Updated this week
• libAtoms / QUIP
  libAtoms/QUIP molecular dynamics framework: https://libatoms.github.io
  ☆374Updated 2 weeks ago
• i-pi / i-pi
  i-PI: a universal force engine
  ☆279Updated last month
• FitSNAP / FitSNAP
  Software for generating machine-learning interatomic potentials for LAMMPS
  ☆179Updated last month
• deepmodeling / dpgen
  The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field
  ☆368Updated last week
• mir-group / flare
  An open-source Python package for creating fast and accurate interatomic potentials.
  ☆339Updated 2 months ago
• lammpstutorials / lammpstutorials.github.io
  LAMMPS tutorials for both beginners and advanced users
  ☆127Updated last month
• brucefan1983 / Molecular-Dynamics-Simulation
  Sample codes for my book on molecular dynamics simulation
  ☆263Updated last month
• dftbplus / dftbplus
  DFTB+ general package for performing fast atomistic simulations
  ☆399Updated last week
• peteboyd / lammps_interface
  automatic generation of LAMMPS input files for molecular dynamics simulations of MOFs
  ☆160Updated 2 years ago
• pierrehirel / atomsk
  Atomsk: A Tool For Manipulating And Converting Atomic Data Files -
  ☆235Updated 3 weeks ago
• Allen-Tildesley / examples
  Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edit…
  ☆332Updated 3 weeks ago
• MaterSim / PyXtal
  A code to generate atomic structure with symmetry
  ☆345Updated last week
• libAtoms / matscipy
  Materials science with Python at the atomic-scale
  ☆222Updated this week
• MaginnGroup / PyLAT
  ☆111Updated 3 years ago
• dftd4 / dftd4
  Generally Applicable Atomic-Charge Dependent London Dispersion Correction
  ☆200Updated last week
• jkitchin / vasp
  New ASE compliant Python interface to VASP
  ☆134Updated 3 years ago
• henniggroup / VASPsol
  Solvation model for the plane wave DFT code VASP.
  ☆167Updated last month
• SINGROUP / dscribe
  DScribe is a python package for creating machine learning descriptors for atomistic systems.
  ☆451Updated last month
• iRASPA / RASPA2
  Classical molecular simulation code
  ☆144Updated last year
• materialsvirtuallab / matgenb
  Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
  ☆270Updated 2 weeks ago
• lammpstutorials / lammpstutorials-inputs
  LAMMPS input from lammpstutorials.github.io
  ☆55Updated last month
• shirtsgroup / InterMol
  Conversion tool for molecular simulations
  ☆213Updated last year
• materialsvirtuallab / maml
  Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.
  ☆437Updated 2 weeks ago
• crest-lab / crest
  CREST - A program for the automated exploration of low-energy molecular chemical space.
  ☆280Updated 3 months ago