john-bradshaw / ml-in-bioinformatics-summer-school-2020
Tutorial for "Advances in machine learning for molecules" (for Summer School for Machine Learning in Bioinformatics, https://cs.hse.ru/ssml/)
☆19Updated 4 years ago
Alternatives and similar repositories for ml-in-bioinformatics-summer-school-2020:
Users that are interested in ml-in-bioinformatics-summer-school-2020 are comparing it to the libraries listed below
- Learning with uncertainty for biological discovery and design☆34Updated 2 years ago
- Comparison of active site and full kinase sequences for drug-target affinity prediction and molecular generation. Full paper: https://pub…☆36Updated 2 years ago
- ☆28Updated 11 months ago
- Curated list on Deep Transformers Applications on Biology and Chemistry☆18Updated 2 years ago
- Mol2vec notebooks for use with Binder service☆29Updated 7 years ago
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆33Updated 11 months ago
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆27Updated 3 years ago
- This repository provides an implementation of the DTi2Vec tool, to identify Drug-Target interaction using network embedding and ensemble …☆12Updated 3 years ago
- Prediction of Protein-Small molecule binding affinities☆16Updated 6 months ago
- A structure-based, alignment-free embedding approach for proteins. Can be used as input to machine learning algorithms.☆37Updated last year
- Web cards/apps describing peptides☆28Updated 2 years ago
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- Code associated with "Biophysical prediction of protein-peptide interactions and signaling networks using machine learning."☆71Updated last year
- StarGazer is a tool designed for rapidly assessing drug repositioning opportunities. It combines multi-source, multi-omics data with a no…☆35Updated last year
- An unofficial re-implementation of AntiBERTy, an antibody-specific protein language model, in PyTorch.☆24Updated last year
- Rapid structure-based virtual screening for RNA targets.☆11Updated last month
- Computational Analysis of Novel Drug Opportunities☆36Updated 2 months ago
- ☆31Updated 4 years ago
- dMaSIF implementation for google colab☆32Updated 2 years ago
- SPECTRA: Spectral framework for evaluation of biomedical AI models☆38Updated last month
- RNA Structural Bioinformatics Crash Course & Data Science in Python☆11Updated 2 years ago
- docking visualization with py3dmol and streamlit☆23Updated 4 years ago
- Fast and accurate molecular docking with an AI pose scoring function☆37Updated last year
- Repository of Jupyter Notebooks on Colab, Binder and Huggingface for Bio, Chemistry and Physics☆14Updated last year
- TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available ab…☆32Updated 9 months ago
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆26Updated 2 years ago
- Python package to atom map, correct and suggest enzymatic reactions☆37Updated last year
- Molecular Reinforcement Learning☆13Updated 2 years ago
- A high-quality hand-curated logD7.4 dataset of 1,130 compounds☆20Updated 7 years ago
- Automated QSAR based on multiple small molecule descriptors☆35Updated 5 months ago