Alternatives and similar repositories for QMOF

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

• Sangwon91 / PORMAKE
  Python library for the construction of porous materials using topology and building blocks.
  ☆84Updated 8 months ago
• BingqingCheng / ASAP
  ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
  ☆152Updated last year
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆86Updated this week
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆134Updated last week
• tobacco-mofs / tobacco_3.0
  ☆69Updated 4 years ago
• zadorlab / sella
  A Python software package for saddle point optimization and minimization of atomic systems.
  ☆132Updated 3 weeks ago
• hjkgrp / molSimplify
  molSimplify code
  ☆210Updated last week
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆82Updated last month
• snurr-group / mofid
  A system for rapid identification and analysis of metal-organic frameworks
  ☆69Updated 2 months ago
• ACEsuit / mace-foundations
  MACE foundation models (MP, OMAT, mh-1)
  ☆197Updated 2 months ago
• materialyzeai / matcalc
  A python library for calculating materials properties from the PES
  ☆130Updated this week
• SUNCAT-Center / CatKit
  General purpose tools for high-throughput catalysis
  ☆102Updated 8 months ago
• hsulab / GDPy
  Generating Deep Potential with Python
  ☆72Updated last week
• BingqingCheng / cace
  ☆118Updated this week
• hackingmaterials / robocrystallographer
  Automatic generation of crystal structure descriptions.
  ☆130Updated last week
• BingqingCheng / ML-in-chemistry-101
  The course materials for "Machine Learning in Chemistry 101"
  ☆84Updated 5 years ago
• CederGroupHub / smol
  Statistical Mechanics on Lattices
  ☆92Updated this week
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆94Updated last year
• Eipgen / Neural-Network-Models-for-Chemistry
  A collection of Neural Network Models for chemistry
  ☆183Updated this week
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆73Updated last year
• peterbjorgensen / DeepDFT
  Official implementation of DeepDFT model
  ☆87Updated 2 years ago
• dralgroup / mlatom
  AI-enhanced computational chemistry
  ☆131Updated last month
• ulissigroup / GASpy
  ☆73Updated 4 years ago
• danieleongari / CURATED-COFs
  Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs
  ☆46Updated 2 years ago
• hspark1212 / MOFTransformer
  Universal Transfer Learning in Porous Materials, including MOFs.
  ☆115Updated last year
• ruihwang / MOF-CGCNN
  We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …
  ☆21Updated 4 years ago
• MarsalekGroup / aml
  A... M... L...
  ☆52Updated 3 years ago
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆63Updated this week
• zhangylch / REANN
  ☆63Updated last year
• mir-group / pair_nequip_allegro
  LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials
  ☆59Updated 4 months ago