yuanqidu / LeftNetLinks
☆59Updated 8 months ago
Alternatives and similar repositories for LeftNet
Users that are interested in LeftNet are comparing it to the libraries listed below
Sorting:
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆124Updated last year
- Official implementation of pre-training via denoising for TorchMD-NET☆96Updated 2 years ago
- Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"☆37Updated last year
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆60Updated 10 months ago
- List of Geometric GNNs for 3D atomic systems☆115Updated last year
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆65Updated last year
- Mixed continous/categorical flow-matching model for de novo molecule generation.☆121Updated last week
- Source code for Equivariant Flow Matching for Molecular Conformer Generation☆43Updated last month
- [NeurIPS 2022] The implementation for the paper "Equivariant Graph Hierarchy-Based Neural Networks".☆30Updated last year
- ☆20Updated last month
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆50Updated last year
- Code for “FlowMM Generating Materials with Riemannian Flow Matching” and "FlowLLM: Flow Matching for Material Generation with Large Langu…☆153Updated 10 months ago
- Reference implementation of "Ewald-based Long-Range Message Passing for Molecular Graphs" (ICML 2023)☆50Updated 2 years ago
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆102Updated last year
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆48Updated 2 years ago
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Updated last year
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆82Updated 2 months ago
- An object-aware diffusion model for generating chemical reactions☆137Updated last year
- [TMLR 2023] Training and simulating MD with ML force fields☆112Updated 10 months ago
- ☆33Updated 6 months ago
- ☆17Updated 2 years ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆47Updated 2 years ago
- GEOM: Energy-annotated molecular conformations☆230Updated 3 years ago
- Efficient 3D molecular generation with flow-matching and Semla☆38Updated last month
- MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation☆107Updated 11 months ago
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆99Updated 3 months ago
- [ICLR 2024 Spotlight] Official Implementation of "Enabling Efficient Equivariant Operations in the Fourier Basis via Gaunt Tensor Product…☆64Updated 9 months ago
- [ICLR 2025] GotenNet: Rethinking Efficient 3D Equivariant Graph Neural Networks☆44Updated 2 weeks ago
- [TMLR 2024] Generalizing Denoising to Non-Equilibrium Structures Improves Equivariant Force Fields☆38Updated 6 months ago
- Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"☆54Updated last year