ShenAoAO / MoleSG
☆11Updated last year
Alternatives and similar repositories for MoleSG:
Users that are interested in MoleSG are comparing it to the libraries listed below
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆21Updated 2 years ago
- ☆23Updated 2 years ago
- structure-based explanation methods☆25Updated 11 months ago
- The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".☆41Updated 4 months ago
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆41Updated 7 months ago
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆60Updated 2 months ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆34Updated 7 months ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆31Updated last year
- ☆30Updated 9 months ago
- 3D_Molecular_Generation☆86Updated 4 months ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆50Updated 8 months ago
- ☆53Updated 2 years ago
- Multimodal learning for chemical domain, with SMILES and properties.☆39Updated 3 months ago
- ☆97Updated 2 years ago
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆63Updated 4 months ago
- Geometry Deep Learning for Drug Discovery and Life Science☆67Updated 11 months ago
- K-BERT for molecular property prediction.☆29Updated 2 years ago
- ☆63Updated 2 years ago
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆44Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆64Updated last year
- ☆16Updated 3 months ago
- Implementation of GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).☆16Updated last year
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆46Updated last year
- Code for AAAI24 paper Text-Guided Molecule Generation with Diffusion Language Model☆18Updated 8 months ago
- ☆42Updated last year
- Obtain and organize all feasible fragmentation of molecular methods☆31Updated last year
- ☆19Updated 10 months ago
- Projecting Molecules into Synthesizable Chemical Spaces (ICML 2024)☆39Updated 2 weeks ago
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆82Updated 11 months ago
- Papers about Structure-based Drug Design (SBDD)☆108Updated 4 months ago