deepchem / DeepLearningLifeSciencesLinks
Example code from the book "Deep Learning for the Life Sciences"
☆371Updated 3 years ago
Alternatives and similar repositories for DeepLearningLifeSciences
Users that are interested in DeepLearningLifeSciences are comparing it to the libraries listed below
Sorting:
- A collection of resources useful for leveraging big data and AI for drug discovery. It mainly serves as an orientation for new lab folks.…☆190Updated last year
- Google Colab Tutorials for IBM3202☆258Updated 7 months ago
- Open Drug Discovery Toolkit☆437Updated 2 years ago
- Official Python client for accessing ChEMBL API☆402Updated 4 months ago
- Get protein embeddings from protein sequences☆493Updated 2 years ago
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.☆656Updated 11 months ago
- UniRep model, usage, and examples.☆351Updated 2 years ago
- A collection of resources for Deep Learning in Python for Life Sciences (with focus on biotech and pharma).☆134Updated this week
- Official code repository of "BERTology Meets Biology: Interpreting Attention in Protein Language Models."☆302Updated last month
- Deep Reinforcement Learning for de-novo Drug Design☆360Updated 3 years ago
- DEEPScreen: Virtual Screening with Deep Convolutional Neural Networks Using Compound Images☆113Updated 10 months ago
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…☆267Updated last year
- ☆353Updated last week
- Cloud-based molecular simulations for everyone☆438Updated last month
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆508Updated 3 months ago
- Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning☆323Updated 3 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
- A curated list of resources for machine learning for small-molecule drug discovery☆222Updated last year
- Generative Tensorial Reinforcement Learning (GENTRL) model☆618Updated 10 months ago
- Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design☆571Updated 9 months ago
- A deep learning framework for molecular docking☆723Updated 2 weeks ago
- ☆531Updated 2 months ago
- Benchmarks for generative chemistry☆454Updated last year
- An all-atom protein structure dataset for machine learning.☆352Updated last year
- The Databases for Drug Discovery (DDD)☆143Updated 6 years ago
- Predicting protein structure through sequence modeling☆111Updated 5 years ago
- bert-loves-chemistry: a repository of HuggingFace models applied on chemical SMILES data for drug design, chemical modelling, etc.☆450Updated 7 months ago
- Source code for "Learning protein sequence embeddings using information from structure" - ICLR 2019☆260Updated 3 years ago
- Working with molecular structures in pandas DataFrames☆730Updated 10 months ago
- Evolutionary couplings from protein and RNA sequence alignments☆267Updated 3 months ago