Alternatives and similar repositories for aml:

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

• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆22Updated last year
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆46Updated 3 years ago
• ulissigroup / vasp-interactive
  ☆64Updated last year
• ICAMS / python-ace
  ☆75Updated 2 months ago
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆58Updated 6 months ago
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆35Updated this week
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆34Updated this week
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆66Updated this week
• lalaheihaihei / catalyticLAM
  Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model
  ☆31Updated 3 weeks ago
• srtee / lammps-USER-CONP2
  updated constant potential plugin for LAMMPS
  ☆38Updated 2 years ago
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆45Updated 3 weeks ago
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆60Updated last year
• Yangxinsix / curator
  A flexible workflow for on-the-fly learning of interatomic potential models.
  ☆25Updated 9 months ago
• mogroupumd / aimd
  ☆41Updated 6 years ago
• gaox-qd / pysoc
  PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+
  ☆40Updated 8 months ago
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆75Updated 2 months ago
• Yangxinsix / painn-sli
  This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…
  ☆21Updated 8 months ago
• zadorlab / sella
  A Python software package for saddle point optimization and minimization of atomic systems.
  ☆85Updated 4 months ago
• QijingZheng / VaspVib2XSF
  Visualize vibrational modes from VASP calculations
  ☆37Updated 3 weeks ago
• winterPack / ReaxFF-Optimization
  Training code used to optimize reaxff force field (via LAMMPS)
  ☆19Updated 7 years ago
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆51Updated 6 years ago
• lucydot / vesta_vectors
  A Python 3 script to visualise atomic displacement using the Vesta file format
  ☆17Updated 4 years ago
• ICAMS / lammps-user-pace
  ☆28Updated last month
• tobacco-mofs / tobacco_3.0
  ☆50Updated 3 years ago
• BingqingCheng / cace
  ☆58Updated this week
• zhangylch / REANN
  ☆56Updated 2 months ago
• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆72Updated last year
• materialsvirtuallab / matcalc
  A python library for calculating materials properties from the PES
  ☆69Updated 3 months ago
• paesanilab / MBX
  MBX is an energy and force calculator for data-driven many-body simulations.
  ☆35Updated 4 months ago
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆50Updated 3 months ago