SY575 / CMPNNLinks
☆76Updated 2 years ago
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 last year
- ☆64Updated 4 years ago
- ☆67Updated 5 years ago
- Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…☆39Updated 3 years ago
- Unified 2D and 3D Pre-Training of Molecular Representations☆30Updated 3 years ago
- ☆186Updated 2 years ago
- ☆47Updated 2 years ago
- Predicting Drug Protein Interaction using Quasi-Visual Question Answering System☆125Updated last year
- ☆51Updated 4 years ago
- ☆95Updated 4 months ago
- a novel DTA predition method using graph neural network☆76Updated 2 years ago
- Chemical-Reaction-Aware Molecule Representation Learning☆80Updated 3 years ago
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆116Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆69Updated last year
- ☆56Updated last year
- ☆60Updated 3 years ago
- Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "☆56Updated 2 years ago
- ☆49Updated 3 years ago
- GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1…☆47Updated 2 years ago
- MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Pro…☆104Updated 5 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆46Updated 4 years ago
- Geometry Deep Learning for Drug Discovery and Life Science☆71Updated last year
- ☆71Updated last year
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Updated last year
- InterpretableDTIP☆20Updated 7 years ago
- semi-supervised learning for molecular property prediction☆51Updated 4 years ago
- Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network☆134Updated 2 years ago
- ☆63Updated last year
- Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)☆161Updated 3 years ago
- TransformerCPI: Improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label…☆151Updated 3 years ago