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 4 months ago
• lamalab-org / mofchecker
  Basic sanity checks for MOFs.
  ☆25Updated last year
• WilmerLab / mofun
  ☆22Updated 2 years ago
• danieleongari / EQeq
  Charge equilibration method for crystal structures
  ☆11Updated 2 years ago
• parkjunkil / ZeoDiff
  ☆16Updated 7 months ago
• lamalab-org / mofdscribe
  An ecosystem for digital reticular chemistry
  ☆46Updated 6 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
• lipelopesoliveira / pyCOFBuilder
  A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…
  ☆50Updated last month
• lcmd-epfl / cell2mol
  ☆26Updated 2 months ago
• jschrier / SynthGPT
  Code and Data for "Large Language Models for Inorganic Synthesis Prediction"
  ☆26Updated 6 months ago
• tobacco-mofs / tobacco_1.0
  ☆16Updated 7 years ago
• 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.
  ☆19Updated 2 years ago
• hspark1212 / MOFreinforce
  A Reinforcement Framework for Inverse Design of MOFs
  ☆27Updated 7 months ago
• hspark1212 / DAC-SIM
  A molecular simulation package integrating MLFFs in MOFs for DAC
  ☆24Updated this week
• SimonEnsemble / porous-material-AI-gym
  open data sets for machine learning pertaining to porous materials
  ☆27Updated last year
• Tsotsalas-Group / MOF_Literature_Extraction
  ☆30Updated 3 years ago
• globus-labs / mof-generation-at-scale
  Create new MOFs by combining generative AI and simulation on HPC
  ☆24Updated this week
• mtap-research / PACMAN-charge
  ☆17Updated 2 weeks ago
• Molsim-Group / MOFtextminer
  Text mining synthesis information in metal organic framework
  ☆13Updated 3 years ago
• kjappelbaum / ml_molsim
  Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)
  ☆26Updated last year
• mtap-research / CoRE-MOF-Tools
  ☆15Updated this week
• richardjgowers / zeoplusplus
  Mirror of http://zeoplusplus.org/
  ☆8Updated 6 years ago
• SimonEnsemble / mpn_charges
  predicting charges on MOF atoms via a message passing MOFs
  ☆23Updated 4 years ago
• Andrew-S-Rosen / xtb_ase
  A fully featured ASE calculator for xTB
  ☆17Updated 4 months ago
• Andrew-S-Rosen / mof_screen
  High-throughput DFT of MOFs using ASE/VASP
  ☆27Updated last year
• TRI-AMDD / piro
  Software for evaluating pareto-optimal synthesis pathways
  ☆25Updated 9 months ago
• danieleongari / CURATED-COFs
  Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs
  ☆34Updated last year
• iRASPA / RASPA3
  This software is a general purpose classical simulation package.
  ☆55Updated this week