chembl / target_predictions
☆12Updated 5 years ago
Alternatives and similar repositories for target_predictions:
Users that are interested in target_predictions are comparing it to the libraries listed below
- This code allows is for diversity picking across multiple different, and potentially overlapping chemical compound classes, while at the …☆10Updated 4 years ago
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆25Updated 2 years ago
- PyMOL Plugin for displaying polar contacts☆16Updated 5 years ago
- A repository of compound-target annotations in support of Systematic Chemogenetic Library Assembly☆17Updated 4 years ago
- TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available ab…☆30Updated 6 months ago
- ☆45Updated 2 years ago
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- My (small) research project in solubility of drug-like molecules☆18Updated 4 years ago
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆18Updated 3 years ago
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- Machine learning model for predicting Human Oral Bioavailability☆13Updated 3 years ago
- Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2☆19Updated 4 months ago
- A knowledge-based method for determining small molecule binding "hotspots".☆35Updated 8 months ago
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆32Updated 8 months ago
- Protein target prediction using random forests and reliability-density neighbourhood analysis☆40Updated 4 years ago
- An MPI based parallel implementation of Autodock Vina☆16Updated 4 years ago
- ☆16Updated 2 years ago
- Bioinformatics and Cheminformatics protocols for peptide analysis☆37Updated 2 years ago
- MD pharmacophores and virtual screening☆33Updated last year
- ☆32Updated 4 years ago
- ☆15Updated 2 weeks ago
- ☆23Updated 3 years ago
- ☆30Updated 9 months ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆26Updated 3 years ago
- Scripts used for Mulligan et al. (2020): Computationally-designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1☆16Updated 3 years ago
- PyDock Tutorial☆30Updated 6 years ago
- pqsar2cpd is a deep learning algorithm for translation of activity profiles into novel molecules.☆30Updated last year
- Computational Analysis of Novel Drug Opportunities☆35Updated 2 weeks ago
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆14Updated 4 years ago
- A collection of useful tutorials for Protein Science☆17Updated 9 years ago