Alternatives and similar repositories for AI_for_Science_paper_collection

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

• deepmodeling / AI4Science101
  AI for Science
  ☆97Updated last year
• microsoft / LLM4ScientificDiscovery
  Call for participation in the impact of LLM for scientific discovery
  ☆73Updated last year
• facebookresearch / crystal-text-llm
  Large language models to generate stable crystals.
  ☆111Updated last year
• MinkaiXu / EGNO
  ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics
  ☆56Updated last year
• chao1224 / Geom3D
  Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023
  ☆124Updated last year
• ai4sci-research / ai4sci-research.github.io
  ☆17Updated last year
• yuanqidu / M2Hub
  ☆46Updated 8 months ago
• facebookresearch / all-atom-diffusion-transformer
  Official implementation of All Atom Diffusion Transformers (ICML 2025)
  ☆250Updated 3 months ago
• ChemFoundationModels / ChemLLMBench
  What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks
  ☆159Updated last year
• vertaix / LLM-Prop
  A repository for the LLM-Prop implementation
  ☆46Updated last year
• AlexDuvalinho / geometric-gnns
  List of Geometric GNNs for 3D atomic systems
  ☆115Updated last year
• divelab / AIRS
  Artificial Intelligence Research for Science (AIRS)
  ☆683Updated 3 weeks ago
• kdmsit / Awesome-Crystal-GNNs
  This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials
  ☆99Updated 3 months ago
• RobDHess / Steerable-E3-GNN
  E(3) Steerable Graph Neural Network
  ☆122Updated 2 years ago
• GLAD-RUC / GGNN4Science
  ☆131Updated 2 months ago
• Dunni3 / FlowMol
  Mixed continous/categorical flow-matching model for de novo molecule generation.
  ☆123Updated this week
• kyonofx / mlcgmd
  [TMLR 2023] Simulate time-integrated coarse-grained MD with multi-scale graph neural networks
  ☆73Updated 2 years ago
• sissa-data-science / DADApy
  Distance-based Analysis of DAta-manifolds in python
  ☆132Updated last month
• facebookresearch / flowmm
  Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…
  ☆153Updated 10 months ago
• lamalab-org / MatText
  Text-based modeling of materials.
  ☆32Updated 9 months ago
• ccr-cheng / InfGCN-pytorch
  Official implementation of the NeurIPS 23 spotlight paper of ♾️InfGCN♾️.
  ☆15Updated last year
• yuanqidu / LeftNet
  ☆59Updated 8 months ago
• zyzisastudyreallyhardguy / LLM4SD
  The Open Source Code for LLM4SD (Large Language Models for Scientific Synthesis, Inference and Explanation)
  ☆116Updated 8 months ago
• ZonglinY / MOOSE-Chem
  [ICLR 2025] <MOOSE-Chem: Large Language Models for Rediscovering Unseen Chemistry Scientific Hypotheses>
  ☆48Updated 2 weeks ago
• atomicarchitects / DeNS
  [TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields
  ☆38Updated 6 months ago
• atomicarchitects / equiformer
  [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs
  ☆248Updated 6 months ago
• scifm / summer-school-2024
  ☆37Updated last year
• vict0rsch / faenet
  ☆33Updated 6 months ago
• SXKDZ / MARCEL
  [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles
  ☆43Updated 2 years ago
• facebookresearch / JMP
  Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.
  ☆60Updated 10 months ago