ShenAoAO / MoleSGLinks
☆11Updated last year
Alternatives and similar repositories for MoleSG
Users that are interested in MoleSG are comparing it to the libraries listed below
Sorting:
- The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".☆47Updated 10 months ago
- ☆27Updated 2 years ago
- Code for "FG-BERT: A Self-Supervised Molecular Representation Learning Method Based on Functional Groups"☆29Updated last year
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆22Updated 3 years ago
- ☆23Updated 4 months ago
- structure-based explanation methods☆28Updated last year
- ☆19Updated 9 months ago
- Official code implementation of PremuNet model.☆16Updated 4 months ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Updated last year
- K-BERT for molecular property prediction.☆31Updated 3 years ago
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆91Updated 4 months ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆72Updated last year
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆35Updated last year
- Token-Mol 1.0:tokenized drug design with large language model☆55Updated last week
- ☆67Updated 2 years ago
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆70Updated 10 months ago
- ☆15Updated 11 months ago
- ☆34Updated 2 years ago
- [ICLR 2024] Protein-Ligand Interaction Prior for Binding-aware 3D Molecule Diffusion Models☆51Updated last year
- ☆48Updated 2 years ago
- MDM☆57Updated last year
- Papers about Structure-based Drug Design (SBDD)☆126Updated last month
- Molecular Reinforcement Learning with Adaptive Intrinsic Reward for Goal-directed Molecular Generation.☆23Updated 7 months ago
- [Nat. Comm. 2024] Multimodal learning for chemical domain, with SMILES and properties.☆39Updated 9 months ago
- Implementation of GTMGC: Using Graph Transformer to Predict Molecule’s Ground-State Conformation (ICLR2024 Spotlight).☆17Updated last year
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆30Updated last year
- Learning Joint 2D & 3D Diffusion Models for Complete Molecule Generation☆50Updated last year
- MGA☆44Updated 4 years ago
- ☆11Updated 5 months ago
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago