aidd-msca / aidd-codebaseLinks
Public version of the AIDD consortium code base
☆10Updated 5 months ago
Alternatives and similar repositories for aidd-codebase
Users that are interested in aidd-codebase are comparing it to the libraries listed below
Sorting:
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆28Updated 4 years ago
- TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available ab…☆32Updated last year
- ☆17Updated 11 months ago
- A Python package for drug discovery by analyzing causal paths on multiscale networks☆27Updated last year
- Computational Analysis of Novel Drug Opportunities☆39Updated 3 months ago
- Data-driven chemical-induced toxicity prediction by machine learning using chemical and bioactivity data☆10Updated 8 years ago
- Model to predict kinase-ligand pKi values.☆12Updated 2 years ago
- Code associated with "Biophysical prediction of protein-peptide interactions and signaling networks using machine learning."☆70Updated last year
- ☆45Updated 3 years ago
- Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)☆32Updated last week
- Prediction of compound synthesis accessibility bashed on reaction knowledge graph☆18Updated 3 years ago
- comparing drug classification methods☆22Updated 5 years ago
- Learning with uncertainty for biological discovery and design☆34Updated 2 years ago
- Benchmark interpretation of QSAR models☆15Updated 3 years ago
- StarGazer is a tool designed for rapidly assessing drug repositioning opportunities. It combines multi-source, multi-omics data with a no…☆35Updated 2 years ago
- Coloring molecules with explainable artificial intelligence☆16Updated 4 years ago
- Drug-Target Interaction Prediction Using Convolutional Neural Networks By Images of Compounds☆10Updated 5 years ago
- pqsar2cpd is a deep learning algorithm for translation of activity profiles into novel molecules.☆30Updated 2 years ago
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆26Updated 2 years ago
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆33Updated last year
- A repository of compound-target annotations in support of Systematic Chemogenetic Library Assembly☆17Updated 5 years ago
- ☆20Updated 4 years ago
- An analysis of a new experimentally-derived nucleic acid binding chemical library☆24Updated 2 years ago
- Perform probe-guided blind docking with FTMap and DOCK6☆10Updated 2 years ago
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Updated 2 years ago
- chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models☆17Updated 2 years ago
- dMaSIF implementation for google colab☆32Updated 2 years ago
- Repository of Jupyter Notebooks on Colab, Binder and Huggingface for Bio, Chemistry and Physics☆14Updated 2 years ago
- Tutorial on the usage of Rdkit, Pandas, sklearn, machine learning, descriptor calculation, etc.. in the context of bioactivity predictive…☆14Updated 10 years ago
- Spatiotemporal identification of druggable binding sites using deep learning☆22Updated 4 years ago