Bin-Chen-Lab / Awesome_BigData_AI_DrugDiscovery
A collection of resources useful for leveraging big data and AI for drug discovery. It mainly serves as an orientation for new lab folks. It may be biased towards my lab interest.
☆186Updated last year
Alternatives and similar repositories for Awesome_BigData_AI_DrugDiscovery:
Users that are interested in Awesome_BigData_AI_DrugDiscovery are comparing it to the libraries listed below
- A curated list of resources for machine learning for small-molecule drug discovery☆212Updated last year
- The Databases for Drug Discovery (DDD)☆140Updated 6 years ago
- DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images☆109Updated 7 months ago
- A visible neural network model for drug response prediction☆140Updated last year
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…☆263Updated last year
- VirtualFlow for Virtual Screening☆165Updated 3 months ago
- A collection of resources for Deep Learning in Python for Life Sciences (with focus on biotech and pharma).☆109Updated last week
- predicting peptide-protein interactions☆125Updated last year
- Install alphafold on the local machine, get out of docker.☆101Updated 3 years ago
- Open Drug Discovery Toolkit☆431Updated 2 years ago
- Tutorials, cheat sheets, and other resources for computational methods for protein design.☆109Updated last year
- Example code from the book "Deep Learning for the Life Sciences"☆365Updated 3 years ago
- MolMapNet: An Efficient ConvNet with Knowledge-based Molecular Represenations for Molecular Deep Learning☆140Updated 7 months ago
- Predicting direct protein-protein interactions with AlphaFold deep learning neural network models.☆157Updated 5 months ago
- A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at Astr…☆187Updated last year
- Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by…☆151Updated last week
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.☆286Updated this week
- trRosetta for protein design☆177Updated 3 years ago
- Google Colab Tutorials for IBM3202☆255Updated 3 months ago
- Multi-task and masked language model-based protein sequence embedding models.☆99Updated 3 years ago
- MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction (Bioinformatics)☆200Updated 2 years ago
- User-friendly extensions of the DrugBank database☆183Updated 5 years ago
- Modelling the Language of Life - Deep Learning Protein Sequences☆119Updated 4 years ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme …☆498Updated last month
- Protein-compound affinity prediction through unified RNN-CNN☆139Updated 7 months ago
- A deep learning framework for high-throughput mechanism-driven phenotype screening☆49Updated 3 years ago
- ☆317Updated 11 months ago
- Toolbox - generic utilities for data processing (e.g., parsing, proximity, guild scoring, etc...)☆109Updated 2 years ago
- Training and prediction scripts for Chemprop models trained on ADMET datasets☆125Updated 4 months ago
- Efficient evolution from protein language models☆191Updated last year