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
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆69Updated last year
- Code for paper "TrimNet: learning molecular representation from triplet messages for biomedicine "☆53Updated 2 years ago
- MolRep: A Deep Representation Learning Library for Molecular Property Prediction☆129Updated 10 months ago
- a novel DTA predition method using graph neural network☆74Updated 2 years ago
- Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures☆48Updated 3 years ago
- generative model for drug discovery☆63Updated 3 weeks ago
- Official implementation of 'Structure-aware Interactive Graph Neural Networks for the Prediction of Protein-Ligand Binding Affinity' (KDD…☆38Updated 3 years ago
- ☆76Updated last year
- Predicting Drug Protein Interaction using Quasi-Visual Question Answering System☆122Updated last year
- ☆64Updated last month
- ☆64Updated 4 years ago
- Multi-Scale Representation Learning on Proteins (NeurIPS 2021)☆46Updated 2 years ago
- ☆50Updated 4 years ago
- Unified 2D and 3D Pre-Training of Molecular Representations☆30Updated 3 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆46Updated 4 years ago
- Papers about Structure-based Drug Design (SBDD)☆119Updated 7 months ago
- ☆58Updated 2 years ago
- Database of Interacting Protein Structures (DIPS)☆102Updated last year
- This is the repository containing the source code for my Master's thesis research, about predicting drug-target interaction using deep le…☆43Updated 6 years ago
- ☆129Updated 2 years ago
- SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)☆52Updated last year
- MoleculeNet benchmark dataset & MolMapNet dataset☆64Updated 3 years ago
- Code and data for QMO https://arxiv.org/abs/2011.01921☆35Updated 3 years ago
- ☆96Updated last month
- Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)☆157Updated 2 years ago
- Geometry Deep Learning for Drug Discovery and Life Science☆71Updated last year
- Zero-Shot 3D Drug Design by Sketching and Generating (NeurIPS 2022)☆34Updated 2 years ago
- Pretrained SMILES transformation model for finetuning for diverse molecular tasks.☆44Updated 3 years ago
- MolDiff: Addressing the Atom-Bond Inconsistency Problem in 3D Molecule Diffusion Generation☆64Updated last year