c-tl / GeoMFormer
☆15Updated 7 months ago
Alternatives and similar repositories for GeoMFormer:
Users that are interested in GeoMFormer are comparing it to the libraries listed below
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆45Updated last year
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆34Updated 5 months ago
- Implementation of ICML2023 paper : Coarse-to-Fine: a Hierarchical Diffusion Model for Molecule Generation in 3D☆42Updated last year
- A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23☆32Updated 10 months ago
- This repo contains the codes for our paper: Molecule Generation by Principal Subgraph Mining and Assembling.☆39Updated 9 months ago
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆49Updated 3 weeks ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆43Updated 6 months ago
- Implementation for NeurIPS 2023 paper "Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation"☆31Updated 8 months ago
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆33Updated 5 months ago
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆35Updated this week
- Code for “From Molecules to Materials Pre-training Large Generalizable Models for Atomic Property Prediction”.☆46Updated 3 months ago
- [CIKM2024] The official implementation of "MMPolymer: A Multimodal Multitask Pretraining Framework for Polymer Property Prediction"☆16Updated 3 months ago
- ☆11Updated 10 months ago
- [ICLR 2024] MARCEL: Machine Learning over Molecular Conformer Ensembles☆40Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆62Updated 10 months ago
- ☆53Updated last year
- Official implementation of pre-training via denoising for TorchMD-NET☆88Updated last year
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆30Updated last year
- Implementation of GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).☆16Updated 10 months ago
- Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023☆117Updated 8 months ago
- ☆48Updated 2 years ago
- This repo contains the codes for our paper "Generalist Equivariant Transformer Towards 3D Molecular Interaction Learning" (ICML 2024).☆27Updated 5 months ago
- Official implementation of the NeurIPS 23 spotlight paper of ♾️InfGCN♾️.☆13Updated last year
- This is the official implementation for Equivariant Enengy-guided SDE for Inverse Molecule Design (ICLR 2023)☆46Updated last year
- ☆9Updated 3 months ago
- Source code of "Improving Equivariant Graph Neural Networks on Large Geometric Graphs via Virtual Nodes Learning"☆22Updated last month
- NeurIPS24: Aligning Target-Aware Molecule Diffusion Models with Exact Energy Optimization☆22Updated 3 months ago
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆41Updated last year
- Implementation for ICLR2024 Oral paper "Unified Generative Modeling of 3D Molecules with Bayesian Flow Networks"☆44Updated 8 months ago