IBM / otter-knowledge
Knowledge-enhanced learned representation enriches protein sequence and SMILES drug databases with a large Knowledge Graph fused from different sources. This improves results on TDC drug target binding affinity prediction benchmarks.
☆58Updated 5 months ago
Alternatives and similar repositories for otter-knowledge:
Users that are interested in otter-knowledge are comparing it to the libraries listed below
- Code and data for the Nature Machine Intelligence paper "Knowledge graph-enhanced molecular contrastive learning with functional prompt".☆119Updated last year
- AutoML system for building trustworthy peptide bioactivity predictors☆25Updated last week
- Source code and data repository for "Ensembles of knowledge graph embedding models improve predictions for drug discovery"☆20Updated last year
- Code to accompany the "Understanding the Performance of Knowledge Graph Embeddings in Drug Discovery" manuscript (Artificial Intelligence…☆33Updated 8 months ago
- BioT5 (EMNLP 2023) and BioT5+ (ACL 2024 Findings)☆111Updated 7 months ago
- The official implementation of dual-view molecule pre-training.☆41Updated 3 years ago
- Example code and data samples for "An experimentally validated approach to automated biological evidence generation in drug discovery usi…☆10Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆64Updated last year
- ☆11Updated 2 years ago
- Code for "Unifying Molecular and Textual Representations via Multi-task Language Modelling" @ ICML 2023☆38Updated 7 months ago
- ☆85Updated last year
- SkipGNN: Predicting Molecular Interactions with Skip-Graph Networks (Scientific Reports)☆65Updated 4 years ago
- Source code for TKDE'22 "KG-MTL: Knowledge Graph Enhanced Multi-Task Learning for Molecular Interaction"☆27Updated 2 years ago
- ☆13Updated last year
- ☆28Updated 3 years ago
- Molecular Hypergraph Neural Network☆35Updated 8 months ago
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆100Updated 10 months ago
- ☆50Updated 10 months ago
- SSM-DTA: Breaking the Barriers of Data Scarcity in Drug-Target Affinity Prediction (Briefings in Bioinformatics 2023)☆52Updated 10 months ago
- PyTorch code for KDD 2023 paper "Pre-training Antibody Language Models for Antigen-Specific Computational Antibody Design"☆50Updated last year
- A Knowledge Graph for Relational Learning On Biological Data☆95Updated last year
- Repo of pharmacophoric constrained heterogeneous-graph-transformer☆17Updated 2 years ago
- MulinforCPI: enhancing precision of compound-protein interaction prediction through novel perspectives on multi-level information integra…☆10Updated 9 months ago
- [Bioinformatics 2021] This is the repo for the paper `SumGNN: Multi-typed Drug Interaction Prediction via Efficient Knowledge Graph Summa…☆85Updated 8 months ago
- [ICLR 2022] OntoProtein: Protein Pretraining With Gene Ontology Embedding☆146Updated last month
- A new retrieval-based framework for controllable molecule generation.☆47Updated last year
- ☆36Updated 10 months ago
- ☆16Updated 3 years ago
- a multi-property optimization method.☆32Updated 4 months ago
- ☆51Updated 7 months ago