IBM / InterpretableDTIPLinks
InterpretableDTIP
☆20Updated 7 years ago
Alternatives and similar repositories for InterpretableDTIP
Users that are interested in InterpretableDTIP are comparing it to the libraries listed below
Sorting:
- ☆67Updated 5 years ago
- Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "☆57Updated 2 years ago
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆70Updated last year
- MolRep: A Deep Representation Learning Library for Molecular Property Prediction☆129Updated last year
- Pretrained SMILES transformation model for finetuning for diverse molecular tasks.☆52Updated 3 years ago
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆35Updated 3 years ago
- MoleculeNet benchmark dataset & MolMapNet dataset☆64Updated 3 years ago
- ☆51Updated 5 years ago
- This is the repository containing the source code for my Master's thesis research, about predicting drug-target interaction using deep le…☆44Updated 6 years ago
- ☆77Updated 2 years ago
- Fragment-based generative RL with Explorative Experience replay for Drug design (FREED)☆55Updated 3 years ago
- generative model for drug discovery☆64Updated last month
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆46Updated 4 years ago
- Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…☆39Updated 3 years ago
- Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)☆164Updated 3 years ago
- Chemical-Reaction-Aware Molecule Representation Learning☆81Updated 3 years ago
- Awesome De novo drugs design papers☆90Updated 2 years ago
- ☆63Updated 5 months ago
- ☆64Updated 4 years ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆65Updated 2 years ago
- ☆94Updated 2 years ago
- Geometry Deep Learning for Drug Discovery and Life Science☆71Updated last year
- An End-to-End Framework for Molecular Conformation Generation via Bilevel Programming (ICML'21)☆51Updated 4 years ago
- ☆60Updated 3 years ago
- a novel DTA predition method using graph neural network☆75Updated 2 years ago
- Code and data for QMO https://arxiv.org/abs/2011.01921☆35Updated 4 years ago
- SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)☆55Updated last year
- Predicting Drug Protein Interaction using Quasi-Visual Question Answering System☆126Updated last year
- ☆47Updated 2 years ago
- Bioinformatics'2022 PerceiverCPI: A nested cross-attention network for compound-protein interaction prediction☆38Updated 2 years ago