SY575 / CMPNNLinks
☆76Updated last year
Alternatives and similar repositories for CMPNN
Users that are interested in CMPNN are comparing it to the libraries listed below
Sorting:
- MolRep: A Deep Representation Learning Library for Molecular Property Prediction☆129Updated 8 months ago
- ☆65Updated 4 years ago
- Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…☆37Updated 3 years ago
- Chemical-Reaction-Aware Molecule Representation Learning☆77Updated 2 years ago
- a novel DTA predition method using graph neural network☆74Updated last year
- ☆51Updated 9 months ago
- Predicting Drug Protein Interaction using Quasi-Visual Question Answering System☆121Updated 10 months ago
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆22Updated 2 years ago
- [ICLR 2023] "Mole-BERT: Rethinking Pre-training Graph Neural Networks for Molecules"☆118Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆66Updated last year
- ☆55Updated 2 years ago
- ☆47Updated 4 years ago
- Unified 2D and 3D Pre-Training of Molecular Representations☆30Updated 2 years ago
- ☆47Updated last year
- Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"☆50Updated 2 years ago
- ☆64Updated 2 years ago
- ☆55Updated last year
- semi-supervised learning for molecular property prediction☆51Updated 3 years ago
- Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".☆40Updated 2 years ago
- ☆67Updated 4 years ago
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆111Updated 8 months ago
- [NeurIPS 2023] DrugCLIP: Contrastive Protein-Molecule Representation Learning for Virtual Screening☆86Updated last year
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆45Updated last year
- ☆95Updated 2 years ago
- Papers about Structure-based Drug Design (SBDD)☆114Updated 5 months ago
- SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)☆52Updated last year
- Geometry Deep Learning for Drug Discovery and Life Science☆69Updated last year
- ☆69Updated last year
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- Repo of pharmacophoric constrained heterogeneous-graph-transformer☆17Updated 2 years ago