AI4QC / AI_for_Science_paper_collectionLinks
List the AI for Science papers accepted by top conferences
☆153Updated 3 months ago
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
Sorting:
- AI for Science☆99Updated last year
- Large language models to generate stable crystals.☆116Updated last year
- Call for participation in the impact of LLM for scientific discovery☆76Updated last year
- Official implementation of All Atom Diffusion Transformers (ICML 2025)☆283Updated 3 months ago
- ☆17Updated last year
- ICML2024: Equivariant Graph Neural Operator for Modeling 3D Dynamics☆60Updated last year
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆109Updated 2 months ago
- ☆48Updated last year
- List of Geometric GNNs for 3D atomic systems☆119Updated last year
- [ICLR 2025] <MOOSE-Chem: Large Language Models for Rediscovering Unseen Chemistry Scientific Hypotheses>☆49Updated last month
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆130Updated last year
- [TMLR 2024 J2C Certification] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆39Updated 10 months ago
- Artificial Intelligence Research for Science (AIRS)☆715Updated last month
- [ICLR 2023 Spotlight] Equiformer: Equivariant Graph Attention Transformer for 3D Atomistic Graphs☆267Updated 10 months ago
- ☆60Updated last year
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆172Updated last year
- Official implementation of HEGNN, a novel high-degree equivariant graph neural network proposed in the NeurIPS 2024 paper 'Are High-Degre…☆30Updated last year
- Official implementation of the NeurIPS 23 spotlight paper of ♾️InfGCN♾️.☆16Updated 2 years ago
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆61Updated last year
- A repository for the LLM-Prop implementation☆50Updated last year
- E(3) Steerable Graph Neural Network☆124Updated 2 years ago
- GEOM: Energy-annotated molecular conformations☆236Updated 3 years ago
- ☆138Updated 6 months ago
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆173Updated last week
- Official Code for What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks (In NeurIPS 2023)☆167Updated last year
- ☆51Updated last year
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆68Updated last year
- This is the official implementation for Equivariant Enengy-guided SDE for Inverse Molecule Design (ICLR 2023)☆48Updated 2 years ago
- Text-based modeling of materials.☆34Updated last year
- Lagrangian formulation of Doob's h-transform allowing for efficient rare event sampling☆54Updated 9 months ago