Alternatives and similar repositories for mofstructure

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

• hspark1212 / DAC-SIM
  A molecular simulation package integrating MLFFs in MOFs for DAC
  ☆41Updated 3 months ago
• uowoolab / MOSAEC-DB
  Compilation of code employed in the construction and analysis of the MOSAEC database.
  ☆16Updated 11 months ago
• WilmerLab / mofun
  ☆25Updated 2 years ago
• danieleongari / EQeq
  Charge equilibration method for crystal structures
  ☆16Updated 3 years ago
• coudertlab / CoRE-MOF
  CoRE-MOF as a Python package
  ☆21Updated last year
• nomad-coe / pyzeo
  Python interface for the zeo++ package
  ☆15Updated 5 months ago
• lamalab-org / mofchecker
  Basic sanity checks for MOFs.
  ☆35Updated 2 years ago
• Atomic-Samplers / quansino
  `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms
  ☆29Updated last week
• SimonEnsemble / PoreMatMod.jl
  a find-and-replace tool for crystal structure models. implements (i) subgraph matching and (ii) point set alignment to search a parent cr…
  ☆20Updated last year
• Au-4 / mofchecker_2.0
  Licensed under Academic Non-Commercial Share-Alike License
  ☆17Updated 4 months ago
• WMD-group / ElementEmbeddings
  Python package to interact with high-dimensional representations of the chemical elements
  ☆47Updated last week
• TRI-AMDD / piro
  Software for evaluating pareto-optimal synthesis pathways
  ☆24Updated last year
• lsmo-epfl / zeopp-lsmo
  zeo++ fork of the LSMO
  ☆22Updated 3 years ago
• lsmo-epfl / aiida-lsmo
  AiiDA workflows for the LSMO laboratory at EPFL
  ☆10Updated 2 years ago
• wengroup / matten
  MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials
  ☆44Updated last month
• uiocompcat / HyDGL
  Python parser for generating descriptive graphs from Natural Bond Orbital data ready for use in Graph Neural Networks.
  ☆12Updated 8 months ago
• snu-micc / StructLLM
  Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models
  ☆12Updated 11 months ago
• haoyuanchen / RASPA-tools
  A collection of tools I created related to the molecular simulations package RASPA.
  ☆12Updated 2 years ago
• lipelopesoliveira / pyCOFBuilder
  A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…
  ☆60Updated 3 months ago
• Andrew-S-Rosen / xtb_ase
  A fully featured ASE calculator for xTB
  ☆22Updated last year
• lamalab-org / mofdscribe
  An ecosystem for digital reticular chemistry
  ☆52Updated last year
• SeyedMohamadMoosavi / tools-cp-porousmat
  Heat capacity predictor for porous materials
  ☆13Updated last year
• peymanzmoghadam / DigiMOF-database-master-main
  Software for the text mining of the synthesis method, solvent, topology, organic linker, and metal precursor of metal-organic frameworks.
  ☆22Updated 3 years ago
• dogusariturk / PhaseForge
  PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…
  ☆55Updated 2 months ago
• sparks-baird / mp-time-split
  Use time-splits for Materials Project entries for generative modeling benchmarking.
  ☆12Updated 2 years ago
• Materials-Consortia / optimade-tutorial-exercises
  Tutorial exercises for the OPTIMADE API
  ☆17Updated 2 years ago
• tobacco-mofs / tobacco_1.0
  ☆19Updated 8 years ago
• Chung-Research-Group / PACMAN-charge
  A fast and accurate model to estimate DFT quality partial atomic charges of periodic materials
  ☆28Updated 5 months ago
• lcmd-epfl / cell2mol
  Encoding chemistry to interpret crystallographic data
  ☆27Updated this week
• HPC-AI-Team / MatRIS
  This repository contains the official PyTorch implementation of MatRIS.
  ☆17Updated 2 months ago