Tsotsalas-Group / MOF_Literature_Extraction

Related projects ⓘ

Alternatives and complementary repositories for MOF_Literature_Extraction

• lipelopesoliveira / pyCOFBuilder
  A package for Covalent Organic Frameworks structure assembly based on specific building block, topology and functional groups based on th…
  ☆46Updated 2 months ago
• 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 …
  ☆15Updated 3 years ago
• kjappelbaum / mofchecker
  Basic sanity checks for MOFs.
  ☆22Updated last year
• snurr-group / mofid
  A system for rapid identification and analysis of metal-organic frameworks
  ☆47Updated 2 months ago
• DeepSorption / DeepSorption1.0
  ☆10Updated last year
• kjappelbaum / mofdscribe
  An ecosystem for digital reticular chemistry
  ☆44Updated 2 months ago
• Ramprasad-Group / PSP
  PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.
  ☆32Updated 4 months ago
• aimat-lab / MOF_Synthesis_Prediction
  ☆31Updated 2 years ago
• danieleongari / CURATED-COFs
  Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs
  ☆34Updated last year
• luigibonati / data-driven-CVs
  Supporting material for the paper "Data driven collective variables for enhanced sampling"
  ☆15Updated 5 months ago
• zhaoqy1996 / YARP
  ☆36Updated 2 years ago
• SeyedMohamadMoosavi / tools-cp-porousmat
  Heat capacity predictor for porous materials
  ☆13Updated 5 months ago
• emmhald / open_metal_detector
  ☆26Updated 2 years ago
• danieleongari / EQeq
  Charge equilibration method for crystal structures
  ☆10Updated last year
• tobacco-mofs / tobacco_3.0
  ☆48Updated 3 years ago
• uiocompcat / tmQM
  tmQM dataset files
  ☆46Updated 3 months ago
• bafgreat / mofstructure
  A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…
  ☆18Updated last 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.
  ☆18Updated 2 years ago
• kaist-amsg / Synthesizability-PU-CGCNN
  ☆24Updated 2 years ago
• jschrier / SynthGPT
  Code and Data for "Large Language Models for Inorganic Synthesis Prediction"
  ☆25Updated 2 months ago
• mtap-research / PACMAN-charge
  ☆15Updated last month
• Ramprasad-Group / canonicalize_psmiles
  Tool for the canonicalization of Polymer SMILES (P🙂) strings
  ☆19Updated 2 months ago
• atomisticnet / tools-and-data
  A collection of tools and databases for atomistic machine learning
  ☆46Updated 3 years ago
• Ramprasad-Group / psmiles
  Fun with P🙂s strings - canonicalize, randomize, dimerize, fingerprint
  ☆26Updated 2 months ago
• hspark1212 / MOFreinforce
  A Reinforcement Framework for Inverse Design of MOFs
  ☆24Updated 3 months ago
• nityasagarjena / PaiNN-model
  This is a simple but efficient implementation of PaiNN-model for constructing machine learning interatomic potentials
  ☆14Updated 2 years ago
• kjappelbaum / ml_molsim
  Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)
  ☆24Updated 10 months ago
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆46Updated 6 months ago
• sbanik2 / CEGANN
  Crystal Edge Graph Attention Neural Network
  ☆20Updated 5 months ago
• iRASPA / RUPTURA
  ☆28Updated 5 months ago