ZangXuan / HiMol
☆20Updated last year
Related projects ⓘ
Alternatives and complementary repositories for HiMol
- ☆56Updated last year
- K-BERT for molecular property prediction.☆27Updated 2 years ago
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆92Updated 2 months ago
- The code for "Graph Diffusion Transformer for Multi-Conditional Molecular Generation"☆25Updated 5 months ago
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆17Updated 2 years ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Updated 2 months ago
- ☆63Updated 3 years ago
- ☆30Updated last year
- structure-based explanation methods☆20Updated 6 months ago
- ☆44Updated 2 months ago
- Geometry Deep Learning for Drug Discovery and Life Science☆58Updated 6 months ago
- Papers about Structure-based Drug Design (SBDD)☆85Updated 2 weeks ago
- [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"☆102Updated last year
- ☆25Updated 5 months ago
- GPCNDTA: prediction of drug-target binding affinity through cross-attention networks augmented with graph features and pharmacophores☆16Updated last year
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆42Updated last year
- ☆52Updated last year
- ☆43Updated last year
- The official codes and implementations of HimGNN model in paper:"HimGNN:a novel hierarchical molecular representations learning framewor…☆17Updated last year
- Code for AAAI 2024 paper "PSC-CPI: Multi-Scale Protein Sequence-Structure Contrasting for Efficient and Generalizable Compound-Protein In…☆25Updated 8 months ago
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆82Updated 5 months ago
- MGA☆42Updated 3 years ago
- The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".☆31Updated 5 months ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆61Updated 7 months ago
- [CIKM2024] The official implementation of "MMPolymer: A Multimodal Multitask Pretraining Framework for Polymer Property Prediction"☆15Updated last week
- ☆10Updated 2 weeks ago
- Implementation of ICML23 paper "Learning Subpocket Prototypes for Generalizable Structure-based Drug Design"☆28Updated 9 months ago
- pre-training BERT with molecular data☆43Updated 3 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆28Updated 9 months ago
- MCMG_V1☆69Updated last year