c-tl / GeoMFormerLinks
☆16Updated last year
Alternatives and similar repositories for GeoMFormer
Users that are interested in GeoMFormer are comparing it to the libraries listed below
Sorting:
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆41Updated 10 months ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆47Updated 2 years ago
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆50Updated 2 years ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Updated last year
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆103Updated 8 months ago
- Official implementation of pre-training via denoising for TorchMD-NET☆99Updated 2 years ago
- [NeurIPS 2023] "Understanding the Limitations of Deep Models for Molecular Property Prediction: Insights and Solutions"☆12Updated 2 years ago
- Official implementation of HEGNN, a novel high-degree equivariant graph neural network proposed in the NeurIPS 2024 paper 'Are High-Degre…☆31Updated last year
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆132Updated last year
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆82Updated last year
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆39Updated 7 months ago
- ☆32Updated last year
- ☆64Updated 2 years ago
- NeuralMD for Protein-ligand Binding Simulation, Nature Communicaitons 2025 https://www.nature.com/articles/s41467-025-67808-z☆38Updated 3 months ago
- Implementation of GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).☆20Updated last year
- Official repository for MolCRAFT series☆141Updated 3 months ago
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆58Updated 3 weeks ago
- Serializing molecule 3D structures☆14Updated last year
- A curated list of papers related to molecular diffusion models.☆84Updated 8 months ago
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆62Updated last year
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆33Updated last year
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆52Updated 2 years ago
- ☆51Updated 3 years ago
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆44Updated 2 years ago
- [TMLR 24'] TacoGFN: Target Conditioned GFlowNet for Structure-based Drug Design☆15Updated 6 months ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆35Updated 2 years ago
- This is the official code for MolReasoner: Toward Effective and Interpretable Reasoning for Molecular LLMs☆44Updated 5 months ago
- Triplet Graph Transformer☆50Updated 4 months ago
- ☆16Updated last year
- [ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation☆35Updated last year