Bin-Chen-Lab / Awesome_BigData_AI_DrugDiscoveryLinks
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.
☆190Updated 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
Sorting:
- The Databases for Drug Discovery (DDD)☆143Updated 6 years ago
- Open Drug Discovery Toolkit☆437Updated 2 years ago
- DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images☆113Updated 10 months ago
- A curated list of resources for machine learning for small-molecule drug discovery☆222Updated last year
- A collection of resources for Deep Learning in Python for Life Sciences (with focus on biotech and pharma).☆134Updated this week
- Example code from the book "Deep Learning for the Life Sciences"☆371Updated 3 years ago
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…☆267Updated last year
- Google Colab Tutorials for IBM3202☆258Updated 7 months ago
- Install alphafold on the local machine, get out of docker.☆101Updated 3 years ago
- A visible neural network model for drug response prediction☆143Updated last year
- predicting peptide-protein interactions☆131Updated last year
- Official Python client for accessing ChEMBL API☆402Updated 4 months ago
- trRosetta for protein design☆179Updated 4 years ago
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.☆328Updated last month
- Educational materials for, and related to, UC Irvine's Drug Discovery Computing Techniques course (PharmSci 175/275), currently taught by…☆152Updated 2 months ago
- VirtualFlow for Virtual Screening☆170Updated last month
- Predicting direct protein-protein interactions with AlphaFold deep learning neural network models.☆162Updated 8 months ago
- MolMapNet: An Efficient ConvNet with Knowledge-based Molecular Represenations for Molecular Deep Learning☆141Updated last month
- A computational drug discovery project, in which bioinformatic and machine learning tools are used to identify possible molecular targets…☆22Updated 4 years ago
- A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at Astr…☆188Updated 2 years ago
- Tutorials, cheat sheets, and other resources for computational methods for protein design.☆112Updated last year
- Protein-compound affinity prediction through unified RNN-CNN☆147Updated 10 months ago
- Deep learning models and structure realization scripts for the DeepAb antibody structure prediction method.☆159Updated 2 years ago
- Get protein embeddings from protein sequences☆493Updated 2 years ago
- Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders☆53Updated 4 years ago
- AbLang: A language model for antibodies☆140Updated last year
- An up-to-date list of papers and code relating to progress in the burgeoning field of AI-Drug Discovery☆43Updated 5 years ago
- Efficient evolution from protein language models☆203Updated last year
- Python for chemoinformatics☆112Updated 4 years ago
- Cloud-based molecular simulations for everyone☆438Updated last month