Alternatives and similar repositories for DigiMOF-database-master-main

Users that are interested in DigiMOF-database-master-main are comparing it to the libraries listed below

• bafgreat / mofstructure
  A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…
  ☆23Updated 8 months ago
• danieleongari / EQeq
  Charge equilibration method for crystal structures
  ☆14Updated 2 years ago
• Tsotsalas-Group / MOF_Literature_Extraction
  ☆30Updated 4 years ago
• parkjunkil / ZeoDiff
  ☆20Updated 3 weeks ago
• lamalab-org / mofchecker
  Basic sanity checks for MOFs.
  ☆32Updated 2 years ago
• jschrier / SynthGPT
  Code and Data for "Large Language Models for Inorganic Synthesis Prediction"
  ☆32Updated last year
• coudertlab / CoRE-MOF
  CoRE-MOF as a Python package
  ☆21Updated last year
• kjappelbaum / ml_molsim
  Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)
  ☆28Updated last year
• Molsim-Group / MOFtextminer
  Text mining synthesis information in metal organic framework
  ☆13Updated 4 years ago
• WilmerLab / mofun
  ☆25Updated 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…
  ☆59Updated 2 months ago
• 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…
  ☆18Updated last year
• kaist-amsg / Synthesizability-PU-CGCNN
  ☆34Updated 3 years ago
• lamalab-org / mofdscribe
  An ecosystem for digital reticular chemistry
  ☆52Updated last year
• danieleongari / CURATED-COFs
  Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs
  ☆44Updated 2 years ago
• hspark1212 / DAC-SIM
  A molecular simulation package integrating MLFFs in MOFs for DAC
  ☆40Updated last month
• uiocompcat / HyDGL
  Python parser for generating descriptive graphs from Natural Bond Orbital data ready for use in Graph Neural Networks.
  ☆12Updated 7 months ago
• WMD-group / ElementEmbeddings
  Python package to interact with high-dimensional representations of the chemical elements
  ☆47Updated last week
• uowoolab / MOSAEC-DB
  Compilation of code employed in the construction and analysis of the MOSAEC database.
  ☆13Updated 10 months ago
• Au-4 / mofchecker_2.0
  Licensed under Academic Non-Commercial Share-Alike License
  ☆16Updated 3 months ago
• kjappelbaum / moffragmentor
  Split a MOF into its building blocks.
  ☆24Updated 2 years ago
• wengroup / matten
  MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials
  ☆43Updated 3 weeks ago
• snurr-group / mofid
  A system for rapid identification and analysis of metal-organic frameworks
  ☆63Updated this week
• SeyedMohamadMoosavi / tools-cp-porousmat
  Heat capacity predictor for porous materials
  ☆13Updated last year
• hjkgrp / MOFSimplify
  The MOF website for property prediction and community engagement.
  ☆38Updated last month
• hspark1212 / MOFreinforce
  A Reinforcement Framework for Inverse Design of MOFs
  ☆34Updated last year
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆62Updated 2 weeks ago
• zhaoqy1996 / YARP
  ☆50Updated 3 years ago
• lsmo-epfl / aiida-lsmo
  AiiDA workflows for the LSMO laboratory at EPFL
  ☆10Updated 2 years ago
• LopezGroup-ICIQ / care
  Automated creation and manipulation of Chemical Reaction Networks (CRNs) in heterogeneous catalysis, allowing the evaluation of species a…
  ☆41Updated this week