Alternatives and similar repositories for gptchem

Users that are interested in gptchem are comparing it to the libraries listed below

• schwallergroup / ai4chem_course
  EPFL CH-457 "AI for chemistry"
  ☆213Updated 5 months ago
• kjappelbaum / awesome-chemistry-datasets
  overview of datasets for ML in chemistry
  ☆352Updated last year
• ur-whitelab / LLMs-in-science
  ☆268Updated 8 months ago
• rxn4chemistry / rxnfp
  Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space o…
  ☆189Updated 4 years ago
• rxn4chemistry / rxn4chemistry
  Python wrapper for the IBM RXN for Chemistry API
  ☆216Updated 2 weeks ago
• rxn4chemistry / rxn_yields
  Code complementing our manuscript on the prediction of chemical reaction yields (https://iopscience.iop.org/article/10.1088/2632-2153/abc…
  ☆126Updated 3 years ago
• ur-whitelab / chemcrow-runs
  ☆92Updated last year
• open-reaction-database / ord-data
  Official data repository for the Open Reaction Database
  ☆294Updated 2 months ago
• sustainable-processes / ORDerly
  Chemical reaction data & benchmarks. Extraction and cleaning of data from Open Reaction Database (ORD)
  ☆109Updated 2 months ago
• microsoft / syntheseus
  Package for Retrosynthetic Planning
  ☆163Updated last week
• chenruduan / OAReactDiff
  An object-aware diffusion model for generating chemical reactions
  ☆138Updated last year
• ur-whitelab / MDCrow
  Molecular dynamics simulations with an LLM agent
  ☆209Updated 6 months ago
• MolecularAI / Chemformer
  ☆273Updated 6 months ago
• Ramprasad-Group / polyBERT
  polyBERT: A chemical language model to enable fully machine-driven ultrafast polymer informatics
  ☆67Updated last year
• OpenBioML / chemnlp
  ChemNLP project
  ☆164Updated last week
• HelloJocelynLu / t5chem
  Transformer-based model for chemical reactions
  ☆86Updated 5 months ago
• CrystalEye42 / OpenChemIE
  ☆82Updated last year
• qai222 / LLM_organic_synthesis
  ☆26Updated last year
• lamalab-org / chemlift
  Language-interfaced fine-tuning for chemistry
  ☆45Updated last year
• blaiszik / awesome-matchem-datasets
  ☆234Updated this week
• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆125Updated last year
• devalab / molgpt
  ☆161Updated 2 years ago
• jensengroup / xyz2mol
  Converts an xyz file to an RDKit mol object
  ☆277Updated 8 months ago
• RUIMINMA1996 / PI1M
  A benchmark dataset for polymer informatics.
  ☆78Updated 4 years ago
• zach-zhiling-zheng / ChatGPT_Chemistry_Assistant
  ChatGPT Chemistry Assistant
  ☆85Updated 2 years ago
• Fung-Lab / MatDeepLearn
  MatDeepLearn, package for graph neural networks in materials chemistry
  ☆197Updated 2 years ago
• IBM / materials
  Foundation Model for Materials - FM4M
  ☆255Updated 2 weeks ago
• alxfgh / Large-Language-Models-in-Chemistry
  Working collection of papers, repos and models of transformer based language models trained or tuned for the Chemical domain, from natura…
  ☆68Updated 2 years ago
• learningmatter-mit / geom
  GEOM: Energy-annotated molecular conformations
  ☆232Updated 3 years ago
• lantunes / CrystaLLM
  A Large Language Model of the CIF format for Crystal Structure Generation
  ☆128Updated last week