Alternatives and similar repositories for CoRE-MOF

Users that are interested in CoRE-MOF 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…
  ☆18Updated last month
• lamalab-org / mofchecker
  Basic sanity checks for MOFs.
  ☆28Updated last year
• WilmerLab / mofun
  ☆22Updated 2 years ago
• danieleongari / EQeq
  Charge equilibration method for crystal structures
  ☆12Updated 2 years ago
• lamalab-org / mofdscribe
  An ecosystem for digital reticular chemistry
  ☆48Updated 8 months ago
• hspark1212 / MOFreinforce
  A Reinforcement Framework for Inverse Design of MOFs
  ☆28Updated 9 months ago
• hspark1212 / DAC-SIM
  A molecular simulation package integrating MLFFs in MOFs for DAC
  ☆27Updated last month
• lcmd-epfl / cell2mol
  ☆26Updated this week
• mtap-research / PACMAN-charge
  ☆21Updated last month
• parkjunkil / ZeoDiff
  ☆16Updated last week
• mtap-research / CoRE-MOF-Tools
  ☆19Updated last week
• Tsotsalas-Group / MOF_Literature_Extraction
  ☆30Updated 3 years ago
• zincware / rdkit2ase
  Create atomistic structures with ASE, rdkit and packmol
  ☆12Updated this week
• 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.
  ☆20Updated 3 years ago
• jschrier / SynthGPT
  Code and Data for "Large Language Models for Inorganic Synthesis Prediction"
  ☆28Updated 8 months ago
• lsmo-epfl / aiida-lsmo
  AiiDA workflows for the LSMO laboratory at EPFL
  ☆10Updated last year
• globus-labs / mof-generation-at-scale
  Create new MOFs by combining generative AI and simulation on HPC
  ☆25Updated this week
• lipelopesoliveira / ForceFields
  A repository to hold forcefields for molecular mechanics calculations with RASPA
  ☆13Updated 2 months ago
• uowoolab / MEPO-ML
  A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.
  ☆13Updated 8 months ago
• lipelopesoliveira / pyCOFBuilder
  A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…
  ☆54Updated last month
• Andrew-S-Rosen / mof_screen
  High-throughput DFT of MOFs using ASE/VASP
  ☆28Updated 2 years 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…
  ☆17Updated 11 months ago
• kjappelbaum / ml_molsim
  Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)
  ☆27Updated last year
• uiocompcat / HyDGL
  Python parser for generating descriptive graphs from Natural Bond Orbital data ready for use in Graph Neural Networks.
  ☆11Updated last month
• Molsim-Group / MOFtextminer
  Text mining synthesis information in metal organic framework
  ☆13Updated 3 years ago
• tobacco-mofs / tobacco_1.0
  ☆17Updated 7 years ago
• Andrew-S-Rosen / xtb_ase
  A fully featured ASE calculator for xTB
  ☆18Updated 7 months ago
• kjappelbaum / moffragmentor
  Split a MOF into its building blocks.
  ☆22Updated 2 years ago
• TRI-AMDD / piro
  Software for evaluating pareto-optimal synthesis pathways
  ☆25Updated 11 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 …
  ☆16Updated last year