Alternatives and similar repositories for amp-tutorial

Users that are interested in amp-tutorial are comparing it to the libraries listed below

• CSIprinceton / workshop-july-2022
  Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022
  ☆53Updated 3 years ago
• smutao / PyVibMS
  A PyMOL plugin for visualizing vibrations in molecules and solids
  ☆44Updated 4 months ago
• itamblyn / scripts
  ☆19Updated 7 years ago
• ReactionMechanismGenerator / AutoTST
  AutoTST: A framework to perform automated transition state theory calculations
  ☆44Updated 3 weeks ago
• angeloziletti / ai4materials
  Deep learning for crystal-structure recognition and analysis of atomic structures
  ☆42Updated last year
• paesanilab / MBX
  MBX is an energy and force calculator for data-driven many-body simulations.
  ☆46Updated this week
• CSIprinceton / workshop-july-2020
  Molecular Simulation with Machine Learning - On-line workshop, July 13-14, 2020
  ☆22Updated 5 years ago
• lopez-lab / PyRAI2MD
  Python Rapid Artificial Intelligence Ab Initio Molecular Dynamics
  ☆25Updated 3 years ago
• lab-cosmo / pimd-tutorial
  Inputs and hand-outs for a PIMD tutorial based on i-PI
  ☆13Updated 7 years ago
• arohl / gdis
  A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures
  ☆46Updated 7 months ago
• compchem-cybertraining / Tutorials_Libra
  Tutorials showcasing various capabilities of Libra
  ☆24Updated this week
• MaterSim / CMS
  Some ongoing projects in Zhu's group
  ☆28Updated last year
• WMD-group / ASE-Tutorials
  Examples of using the Atomic Simulation Environment
  ☆39Updated 9 years ago
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆41Updated this week
• sharc-md / sharc
  The SHARC molecular dynamics (MD) program suite is an ab initio MD software package developed to study the excited-state dynamics of mole…
  ☆76Updated 8 months ago
• gaox-qd / pysoc
  PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+
  ☆47Updated last year
• zorkzou / UniMoVib
  a unified interface for molecular harmonic vibrational frequency calculations
  ☆33Updated 6 months ago
• deepmodeling / tutorials
  Tutorials for DeepModeling projects.
  ☆15Updated 10 months ago
• molmd / mispr
  A software for automating materials science computations
  ☆33Updated 3 months ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆48Updated 4 years ago
• maise-guide / maise
  MAISE Module for Ab Initio Structure Evolution (MAISE)
  ☆36Updated 4 months ago
• Andrew-S-Rosen / mof_screen
  High-throughput DFT of MOFs using ASE/VASP
  ☆29Updated 2 years ago
• CSIprinceton / workshop-july-2023
  Deep Modeling for Molecular Simulation 2023, four-day in-person workshop, July 11-14, 2023
  ☆23Updated 2 years ago
• simongravelle / DOS-VACF-LAMMPS
  Python script for calculating vibrational density of states (DOS) from LAMMPS dump file
  ☆19Updated last year
• BingqingCheng / MLP-highP-H
  ☆17Updated 5 years ago
• MDIL-SNU / SPINNER
  SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)
  ☆15Updated last year
• hsulab / GDPy
  Generating Deep Potential with Python
  ☆72Updated last week
• pyscal / pyscal
  Python library written in C++ for calculation of local atomic structural environment
  ☆69Updated last year
• ml-electron-project / NNfunctional
  ☆39Updated 6 years ago
• grimme-lab / std2
  std2 program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, SF-sTD-DFT, XsTDA, XsTD-DF…
  ☆51Updated 3 months ago