Alternatives and similar repositories for Chem-prop-pred

Users that are interested in Chem-prop-pred are comparing it to the libraries listed below

• Ramprasad-Group / polyVERSE
  polyVERSE is a comprehensive repository of informatics-ready datasets curated by the Ramprasad Group.
  ☆30Updated 2 weeks ago
• PEJpOhno / SMiPoly
  rule-based virtual polymer library generator
  ☆48Updated last month
• NatLabRockies / m2p
  ☆35Updated 6 months ago
• Henrium / MolSets
  Molecular graph deep sets learning for mixture property modeling.
  ☆31Updated last year
• kaist-amsg / Synthesizability-PU-CGCNN
  ☆35Updated 3 years ago
• hkqiu / Unified_ML4Polymers
  Unified machine learning model for predicting polymer properties through human language instructions
  ☆27Updated 9 months ago
• TRI-AMDD / PolyGen
  ☆25Updated 8 months ago
• arcann-chem / arcann_training
  An automated enhanced sampling generation of training sets for chemically reactive machine learning interatomic potentials
  ☆22Updated last week
• zhaoqy1996 / YARP
  ☆52Updated 3 years ago
• isayevlab / aimnetnse
  AIMNet-NSE model
  ☆47Updated 2 years ago
• mjwen / bondnet
  A graph neural network for the prediction of bond dissociation energies for molecules of any charge.
  ☆66Updated 4 months ago
• Tsotsalas-Group / MOF_Literature_Extraction
  ☆31Updated 4 years ago
• jschrier / SynthGPT
  Code and Data for "Large Language Models for Inorganic Synthesis Prediction"
  ☆33Updated last year
• zhenpengyao / Supramolecular_VAE
  ☆35Updated 4 months ago
• olsenlabmit / BCDB
  The Block Copolymer Phase Behavior Database (BCDB)
  ☆20Updated last year
• SimonEnsemble / multi-fidelity-BO-of-COFs-for-Xe-Kr-seps
  ☆15Updated 2 years ago
• kaist-amsg / imatgen
  image-based generative model for inverse design of solid state materials
  ☆42Updated 3 years ago
• Savoie-Research-Group / yarp
  Object-oriented refactoring of the YARP package
  ☆25Updated 2 months ago
• Ramprasad-Group / canonicalize_psmiles
  Tool for the canonicalization of Polymer SMILES (P🙂) strings
  ☆34Updated last year
• Ramprasad-Group / PSP
  PSP is a python toolkit for predicting atomic-level structural models for a range of polymer geometries.
  ☆47Updated last year
• JorenBE / GPT-Challenge
  ☆13Updated last year
• snurr-group / mofid
  A system for rapid identification and analysis of metal-organic frameworks
  ☆69Updated 2 months ago
• hspark1212 / MOFTransformer
  Universal Transfer Learning in Porous Materials, including MOFs.
  ☆115Updated last year
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆42Updated 3 years ago
• mjwen / rxnrep
  Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.
  ☆34Updated 3 years ago
• schwallergroup / AdsMT
  Multimodal Transformer for Predicting Global Minimum Adsorption Energy
  ☆27Updated 10 months ago
• ccdc-opensource / csd-python-api-scripts
  Example scripts using the CSD Python API
  ☆86Updated last month
• doyle-lab-ucla / edboplus
  EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.
  ☆90Updated 4 months ago
• cuitaoyong / GPIP
  ☆18Updated last year
• parkjunkil / ZeoDiff
  ☆20Updated 2 months ago