Alternatives and similar repositories for matchem-llm

Users that are interested in matchem-llm are comparing it to the libraries listed below

• usnistgov / chemnlp
  ChemNLP: A Natural Language Processing based Library for Materials Chemistry Text Data
  ☆75Updated 9 months ago
• jla-gardner / graph-pes
  train and use graph-based ML models of potential energy surfaces
  ☆91Updated this week
• mehradans92 / dZiner
  Chemist AI Agent for Rational Inverse Design of Materials
  ☆27Updated 2 months ago
• PV-Lab / FTCP
  FTCP code
  ☆34Updated last year
• hspark1212 / chemeleon
  A text-guided diffusion model for crystal structure generation
  ☆56Updated this week
• doncamilom / BOLLaMa
  ☆25Updated 10 months ago
• eltonpan / zeosyn_dataset
  ZeoSyn: A Comprehensive Zeolite Synthesis Dataset Enabling Machine-learning Rationalization of Hydrothermal Parameters (ACS Central Scien…
  ☆26Updated 7 months ago
• blaiszik / awesome-matchem-datasets
  ☆143Updated last week
• zhaoqy1996 / YARP
  ☆43Updated 2 years ago
• chenruduan / OAReactDiff
  An object-aware diffusion model for generating chemical reactions
  ☆126Updated last year
• jan-janssen / LangSim
  Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim
  ☆63Updated 7 months ago
• Fung-Lab / MatterTune
  A unified platform for fine-tuning atomistic foundation models in chemistry and materials science
  ☆40Updated 2 weeks ago
• bytedance / bamboo
  BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…
  ☆96Updated 3 weeks ago
• aronwalsh / MLforMaterials
  Online resource for a practical course in machine learning for materials research at Imperial College London (MATE70026)
  ☆84Updated this week
• lamalab-org / MatText
  Text-based modeling of materials.
  ☆32Updated 6 months ago
• luigibonati / mlcolvar
  A unified framework for machine learning collective variables for enhanced sampling simulations
  ☆109Updated this week
• snurr-group / mofid
  A system for rapid identification and analysis of metal-organic frameworks
  ☆57Updated 6 months ago
• mir-group / pair_nequip_allegro
  LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials
  ☆42Updated last week
• ACEsuit / mace-off
  MACE-OFF23 models
  ☆34Updated 4 months ago
• qai222 / LLM_organic_synthesis
  ☆25Updated last year
• WanyuGroup / AI-for-Crystal-Materials
  AI for crystal materials
  ☆54Updated this week
• ASK-Berkeley / EScAIP
  [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential
  ☆50Updated 2 months ago
• LLNL / graphite
  A repository for implementing graph network models based on atomic structures.
  ☆84Updated 9 months ago
• qcscine / chemoton
  ☆48Updated 9 months ago
• virtualzx-nad / geodesic-interpolate
  Interpolation of molecular geometries through geodesics in redundant internal coordinate hyperspace for complex transformations
  ☆53Updated 3 months ago
• AC-BO-Hackathon / ac-bo-hackathon.github.io
  ☆10Updated last week
• RUIMINMA1996 / PI1M
  A benchmark dataset for polymer informatics.
  ☆62Updated 4 years ago
• PEJpOhno / SMiPoly
  rule-based virtual polymer library generator
  ☆36Updated this week
• hoon-ock / CatBERTa
  Large Language Model for Catalyst Property Prediction
  ☆25Updated last year
• xiaohang007 / SLICES
  SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS
  ☆107Updated 2 months ago