zpeng1989 / AI_With_Drug_DevelopmentLinks
Artificial intelligence is used in drug development
☆18Updated 6 years ago
Alternatives and similar repositories for AI_With_Drug_Development
Users that are interested in AI_With_Drug_Development are comparing it to the libraries listed below
Sorting:
- ☆77Updated 3 years ago
- An opensource molecule analyze software☆47Updated 3 years ago
- Data for our paper "Chemical Reaction Practicality Judgment via Deep Symbol Artificial Intelligence"☆24Updated 2 years ago
- OriGene: A Self-Evolving Virtual Disease Biologist for Mechanism-Guided Therapeutic Target Discovery☆188Updated 5 months ago
- ☆32Updated last month
- ChemNLP project☆171Updated last week
- Protein Language Model☆121Updated 2 years ago
- semi-supervised learning for molecular property prediction☆52Updated 4 years ago
- ☆14Updated last year
- A deep learning model for small molecule drug discovery and cheminformatics based on SMILES☆178Updated 2 years ago
- [ICLR 2024] Domain-Agnostic Molecular Generation with Chemical Feedback☆186Updated last year
- Predicting Drug Protein Interaction using Quasi-Visual Question Answering System☆127Updated last year
- DrugGPT: A GPT-based Strategy for Designing Potential Ligands Targeting Specific Proteins☆122Updated 11 months ago
- Reinforcement Learning based bioretrosynthesis tool☆56Updated 10 months ago
- VirtualFlow for Virtual Screening☆183Updated 5 months ago
- [ICLR 2024] Mol-Instructions: A Large-Scale Biomolecular Instruction Dataset for Large Language Models☆292Updated last year
- [ICLR 2022] OntoProtein: Protein Pretraining With Gene Ontology Embedding☆151Updated 11 months ago
- an autoregressive flow model incorporated with chemical acknowledge for generating drug-like molecules inside protein pockets☆153Updated 8 months ago
- predicting AlogP with machine or deep learning☆10Updated 4 years ago
- Artificial Intelligence Drug Design Tutorial, 人工智能药物设计教程☆59Updated 3 years ago
- TransformerCPI: Improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label…☆152Updated 3 years ago
- 3DProtDTA: a deep learning model for drug-target affinity prediction based on residue-level protein graphs☆25Updated 2 years ago
- ☆11Updated 2 months ago
- ☆58Updated 2 years ago
- A Biological Foundation Model Bridging the Gap between Molecular Sequences Through Central Dogma☆28Updated 11 months ago
- Modified version of Alphafold to divide CPU part (MSA and template searching) and GPU part. This can accelerate Alphafold when predicting…☆173Updated last year
- Uni-Dock: a GPU-accelerated molecular docking program☆274Updated last month
- The MolE pre-training framework to learn general molecular representations from unlabeled structures☆12Updated 8 months ago
- Text mining of chemical reactions☆113Updated last year
- A python package for computer-aid drug design.☆42Updated 2 months ago