SY575 / CMPNNLinks
☆77Updated 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
- ☆47Updated 2 years ago
- ☆187Updated 2 years ago
- Unified 2D and 3D Pre-Training of Molecular Representations☆30Updated 3 years ago
- ☆96Updated 5 months ago
- Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)☆164Updated 3 years ago
- ☆60Updated 3 years ago
- codes for KPGT (Knowledge-guided Pre-training of Graph Transformer)☆120Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆70Updated last year
- InterpretableDTIP☆20Updated 7 years ago
- semi-supervised learning for molecular property prediction☆52Updated 4 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
- ☆73Updated last year
- Predicting Drug Protein Interaction using Quasi-Visual Question Answering System☆126Updated last year
- ☆51Updated 5 years ago
- Chemical-Reaction-Aware Molecule Representation Learning☆81Updated 3 years ago
- [AAAI 2023] The implementation for the paper "Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs"☆33Updated last year
- MCMG_V1☆75Updated 3 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆46Updated 4 years ago
- Implementation of Retrosynthesis Prediction with Conditional Graph Logic Network☆134Updated 2 years ago
- a novel DTA predition method using graph neural network☆75Updated 2 years ago
- ☆58Updated last year
- Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".☆40Updated 2 years ago
- ☆49Updated 3 years ago
- Effective drug-target interaction prediction with mutual interaction neural network☆33Updated 3 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
- ☆64Updated 2 years ago