Alternatives and similar repositories for autografs:

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

• tobacco-mofs / tobacco_3.0
  ☆50Updated 3 years ago
• ulissigroup / vasp-interactive
  ☆63Updated last year
• Andrew-S-Rosen / mof_screen
  High-throughput DFT of MOFs using ASE/VASP
  ☆26Updated last year
• danieleongari / CURATED-COFs
  Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs
  ☆33Updated last year
• lsmo-epfl / aiida-raspa
  The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net
  ☆11Updated last year
• emmhald / open_metal_detector
  ☆26Updated 2 years ago
• mtap-research / PACMAN-charge
  ☆16Updated 3 months ago
• mogroupumd / aimd
  ☆40Updated 6 years ago
• st4sd / nanopore-adsorption-experiment
  Simulates molecular adsorption and diffusion on nanoporous materials.
  ☆10Updated last month
• winterPack / ReaxFF-Optimization
  Training code used to optimize reaxff force field (via LAMMPS)
  ☆18Updated 7 years ago
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆21Updated last year
• iRASPA / RASPA3
  This software is a general purpose classical simulation package.
  ☆49Updated this week
• hellozhaoming / FCP-vasp-ase
  ASE interface for fully constant potential with VASP
  ☆29Updated 3 months ago
• yuanyue-liu-group / CP-VASP
  ☆34Updated 3 months ago
• mme-ucl / CmuMD
  CmuMD implementation for PLUMED2
  ☆15Updated last year
• Yangxinsix / curator
  A flexible workflow for on-the-fly learning of interatomic potential models.
  ☆24Updated 8 months 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
• iRASPA / RUPTURA
  ☆31Updated this week
• MarsalekGroup / aml
  A... M... L...
  ☆47Updated 2 years ago
• SeyedMohamadMoosavi / tools-cp-porousmat
  Heat capacity predictor for porous materials
  ☆13Updated 7 months ago
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆35Updated this week
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆56Updated 5 months ago
• lipelopesoliveira / pyCOFBuilder
  A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…
  ☆47Updated 3 weeks ago
• tongzhugroup / mddatasetbuilder
  A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.
  ☆37Updated this week
• lalaheihaihei / catalyticLAM
  Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model
  ☆29Updated last month
• 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 7 months ago
• maddicoat / AuToGraFS
  Automatic Topological Generator for Framework Structures
  ☆18Updated 6 years ago
• QuantumMisaka / ATST-Tools
  Advanced ASE Transition State Tools for ABACUS and Deep-Potential
  ☆25Updated last month
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆42Updated 7 months ago
• danieleongari / EQeq
  Charge equilibration method for crystal structures
  ☆11Updated 2 years ago