NCBI-Hackathons / drugdisco
A high throughput automated drug discovery pipeline.
☆29Updated 7 years ago
Alternatives and similar repositories for drugdisco:
Users that are interested in drugdisco are comparing it to the libraries listed below
- Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)☆30Updated 3 months ago
- Computational Analysis of Novel Drug Opportunities☆36Updated last month
- TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available ab…☆31Updated 8 months ago
- Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G pr…☆37Updated this week
- StarGazer is a tool designed for rapidly assessing drug repositioning opportunities. It combines multi-source, multi-omics data with a no…☆34Updated last year
- Tutorials and examples for nicer animations (movies) and images in PyMOL.☆21Updated 10 years ago
- Model-based Analysis of Protein Degradability☆10Updated 3 years ago
- Pipeline for assessing the tractability of potential targets (starting from Gene IDs)☆22Updated last month
- comparing drug classification methods☆19Updated 5 years ago
- A deep learning model to predict anticancer peptides.☆23Updated 5 years ago
- ☆28Updated 10 months ago
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆14Updated 4 years ago
- chemmodlab: A Cheminformatics Modeling Laboratory for Fitting and Assessing Machine Learning Models☆15Updated last year
- A Data-Driven Approach to Predicting Successes and Failures of Clinical Trials☆18Updated 5 years ago
- Perform probe-guided blind docking with FTMap and DOCK6☆10Updated last year
- Sniffing out new drugs☆21Updated 2 years ago
- a collection of colabs useful for molecular biology☆31Updated last year
- Convert PDB residues to their Uniprot equivalents☆17Updated 4 years ago
- Python package and command line tool for epitope prediction☆51Updated 7 months ago
- Prediction of B-cell epitopes from amino acid sequences using deep neural networks.☆14Updated 3 years ago
- ☆23Updated last year
- Peptide library design☆21Updated 4 years ago
- Houses deployable code for the SCORCH scoring function and docking pipeline from the related publication: https://doi.org/10.1016/j.jare.…☆17Updated 2 years ago
- Methods for mapping genomic data onto 3D protein structure.☆28Updated 2 years ago
- ☆11Updated 5 years ago
- Data-driven chemical-induced toxicity prediction by machine learning using chemical and bioactivity data☆10Updated 8 years ago
- ☆15Updated 6 months ago
- A collection of IPython Notebooks on chemoinformatics☆12Updated 8 years ago
- KDS software for Kinase Drug Selectivity☆11Updated last year
- A package for MD, Docking and Machine learning drug discovery pipeline☆43Updated 4 years ago