Alternatives and similar repositories for AIM

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

• bartoszmazurwro / RASPA2_GC-TMMC
  Modification of RASPA2 code for GC-TMMC simulations
  ☆12Updated last year
• mtap-research / data-repository
  Simulation data, analysis notebook, and codes to reproduce our work
  ☆11Updated 4 months ago
• SeyedMohamadMoosavi / tools-cp-porousmat
  Heat capacity predictor for porous materials
  ☆13Updated last year
• haoyuanchen / RASPA-tools
  A collection of tools I created related to the molecular simulations package RASPA.
  ☆12Updated 2 years ago
• st4sd / nanopore-adsorption-experiment
  Simulates molecular adsorption and diffusion on nanoporous materials.
  ☆18Updated 11 months ago
• lipelopesoliveira / ForceFields
  A repository to hold forcefields for molecular mechanics calculations with RASPA
  ☆16Updated 8 months ago
• Chung-Research-Group / PACMAN-charge
  A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials
  ☆28Updated 4 months ago
• lsmo-epfl / zeopp-lsmo
  zeo++ fork of the LSMO
  ☆20Updated 2 years ago
• uowoolab / MEPO-ML
  A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.
  ☆13Updated 3 months ago
• SarkisovGitHub / PoreBlazer
  PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…
  ☆53Updated last year
• iRASPA / RUPTURA
  ☆39Updated 10 months ago
• lipelopesoliveira / pyCOFBuilder
  A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…
  ☆59Updated 2 months ago
• danieleongari / CURATED-COFs
  Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs
  ☆44Updated 2 years ago
• uowoolab / MOSAEC-DB
  Compilation of code employed in the construction and analysis of the MOSAEC database.
  ☆13Updated 9 months ago
• tobacco-mofs / tobacco_3.0
  ☆65Updated 4 years ago
• lsmo-epfl / aiida-raspa
  The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net
  ☆13Updated 2 years ago
• danieleongari / EQeq
  Charge equilibration method for crystal structures
  ☆14Updated 2 years ago
• CMMRLab / LUNAR
  ☆49Updated last week
• yuanyue-liu-group / CP-MACE
  ☆31Updated 2 months ago
• snurr-group / pacmof
  PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic …
  ☆17Updated last year
• WilmerLab / mofun
  ☆25Updated 2 years ago
• IBM / pymser
  A Python library to apply the Marginal Standard Error Rule (MSER) for transient regime detection and truncation on Grand Canonical Monte …
  ☆28Updated 6 months ago
• arung-northwestern / pacmof
  PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic …
  ☆12Updated last year
• emmhald / open_metal_detector
  ☆31Updated 4 months ago
• iRASPA / RASPA3
  This software is a general purpose classical simulation package. Online documentation available at:
  ☆79Updated 2 weeks ago
• lsmo-epfl / aiida-lsmo
  AiiDA workflows for the LSMO laboratory at EPFL
  ☆10Updated 2 years ago
• Yangxinsix / curator
  A flexible workflow for on-the-fly learning of interatomic potential models.
  ☆31Updated this week
• lamalab-org / mofchecker
  Basic sanity checks for MOFs.
  ☆32Updated 2 years ago
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆71Updated last year
• tobacco-mofs / tobacco_1.0
  ☆19Updated 8 years ago