IBM / InterpretableDTIP
InterpretableDTIP
☆19Updated 6 years ago
Related projects ⓘ
Alternatives and complementary repositories for InterpretableDTIP
- ☆66Updated 4 years ago
- This is the repository containing the source code for my Master's thesis research, about predicting drug-target interaction using deep le…☆42Updated 5 years ago
- Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…☆36Updated 2 years ago
- ☆44Updated 2 months ago
- a novel DTA predition method using graph neural network☆70Updated last year
- Pretrained SMILES transformation model for finetuning for diverse molecular tasks.☆44Updated 2 years ago
- Bioinformatics'2022 PerceiverCPI: A nested cross-attention network for compound-protein interaction prediction☆35Updated last year
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆49Updated 2 years ago
- ☆43Updated last year
- ☆10Updated last year
- Multi-Scale Representation Learning on Proteins (NeurIPS 2021)☆47Updated last year
- Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "☆51Updated last year
- An official Molecule Transformer Drug Target Interaction (MT-DTI) model☆34Updated 4 years ago
- ☆32Updated 2 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆61Updated 7 months ago
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆29Updated last year
- MolRep: A Deep Representation Learning Library for Molecular Property Prediction☆126Updated 2 months ago
- MoleculeNet benchmark dataset & MolMapNet dataset☆61Updated 2 years ago
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 3 years ago
- MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Pro…☆100Updated 4 years ago
- MSA-Regularized Protein Sequence Transformer toward Predicting Genome-Wide Chemical-Protein Interactions: Application to GPCRome Deorphan…☆11Updated 2 years ago
- DeepCDA☆12Updated 4 years ago
- pre-training BERT with molecular data☆43Updated 3 years ago
- generative model for drug discovery☆58Updated last year
- ☆43Updated 4 years ago
- ☆24Updated 8 months ago
- ☆17Updated 9 months ago
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆82Updated 5 months ago
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆32Updated 2 years ago