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 last month
• jla-gardner / graph-pes
  train and use graph-based ML models of potential energy surfaces
  ☆101Updated this week
• doncamilom / BOLLaMa
  ☆25Updated last year
• RUIMINMA1996 / PI1M
  A benchmark dataset for polymer informatics.
  ☆73Updated 4 years ago
• mlederbauer / awesome-learning-digital-chemistry
  a curated list of resources for everyone interested in learning about digital chemistry
  ☆25Updated 2 months ago
• lantunes / CrystaLLM
  A Large Language Model of the CIF format for Crystal Structure Generation
  ☆114Updated 6 months ago
• chiang-yuan / llamp
  A web app and Python API for multi-modal RAG framework to ground LLMs on high-fidelity materials informatics. An agentic materials scient…
  ☆84Updated 9 months ago
• eltonpan / zeosyn_dataset
  ZeoSyn: A Comprehensive Zeolite Synthesis Dataset Enabling Machine-learning Rationalization of Hydrothermal Parameters (ACS Central Scien…
  ☆26Updated 9 months ago
• blaiszik / awesome-matchem-datasets
  ☆196Updated this week
• hspark1212 / chemeleon
  A text-guided diffusion model for crystal structure generation
  ☆62Updated 2 months ago
• jan-janssen / LangSim
  Application of Large Language Models (LLM) for computational materials science - visit jan-janssen.com/LangSim
  ☆66Updated 3 weeks ago
• xiaohang007 / SLICES
  SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS
  ☆114Updated 4 months ago
• zhaoqy1996 / YARP
  ☆48Updated 3 years ago
• kjappelbaum / ml_molsim
  Machine learning exercises for the MolSim course (http://www.acmm.nl/molsim/molsim2023/index.html)
  ☆27Updated last year
• hspark1212 / MOFTransformer
  Universal Transfer Learning in Porous Materials, including MOFs.
  ☆106Updated last year
• general-molecular-simulations / so3lr
  SO3krates and Universal Pairwise Force Field for Molecular Simulation
  ☆108Updated 3 weeks ago
• doyle-lab-ucla / edboplus
  EDBO+. Bayesian reaction optimization as a tool for chemical synthesis.
  ☆77Updated last month
• luigibonati / mlcolvar
  A unified framework for machine learning collective variables for enhanced sampling simulations
  ☆117Updated this week
• PEJpOhno / SMiPoly
  rule-based virtual polymer library generator
  ☆41Updated 2 weeks ago
• ASK-Berkeley / EScAIP
  [NeurIPS 2024] Official implementation of the Efficiently Scaled Attention Interatomic Potential
  ☆52Updated 4 months ago
• hjkgrp / MOFSimplify
  The MOF website for property prediction and community engagement.
  ☆35Updated 3 months ago
• qcscine / chemoton
  ☆50Updated 11 months ago
• snurr-group / mofid
  A system for rapid identification and analysis of metal-organic frameworks
  ☆58Updated 8 months ago
• ACEsuit / mace-off
  MACE-OFF23 models
  ☆42Updated 6 months ago
• OUnke / SpookyNet
  Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"
  ☆77Updated 3 years ago
• lamalab-org / matextract-book
  ☆42Updated last month
• rxn4chemistry / rxn-ir-to-structure
  Predicting molecular structure from Infrared (IR) Spectra
  ☆23Updated last year
• Fung-Lab / MatterTune
  A unified platform for fine-tuning atomistic foundation models in chemistry and materials science
  ☆54Updated last week
• AIforGreatGood / charge3net
  Higher-order equivariant neural networks for charge density prediction in materials
  ☆59Updated 5 months ago
• JoshRackers / equivariant_electron_density
  Generate and predict molecular electron densities with Euclidean Neural Networks
  ☆48Updated last year