Accio / AMIDDLinks
Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)
☆32Updated this week
Alternatives and similar repositories for AMIDD
Users that are interested in AMIDD are comparing it to the libraries listed below
Sorting:
- Derivation of structural alerts from bioactivity data sets☆30Updated 9 years ago
- A package for MD, Docking and Machine learning drug discovery pipeline☆44Updated 5 years ago
- Computational Analysis of Novel Drug Opportunities☆40Updated last month
- ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model☆14Updated 5 years ago
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆15Updated 5 years ago
- Coloring molecules with explainable artificial intelligence☆16Updated 4 years ago
- PKSmart: Predicting PK properties using Chemical Structures☆18Updated 2 months ago
- Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G pr…☆43Updated 2 months ago
- ☆32Updated 7 months ago
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆28Updated 4 years ago
- Python for chemoinformatics☆52Updated 6 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 2 years ago
- ☆33Updated 11 months ago
- A Python wrapper for the Chemistry Development Kit (CDK)☆38Updated 3 months ago
- MzDOCK - An Automated GUI based pipeline for Molecular Docking☆23Updated 3 months ago
- Perform probe-guided blind docking with FTMap and DOCK6☆10Updated 2 years ago
- pqsar2cpd is a deep learning algorithm for translation of activity profiles into novel molecules.☆30Updated 2 years ago
- comparing drug classification methods☆22Updated 5 years ago
- Supporting code for doi 10.1021/acs.jcim.0c01344☆23Updated 3 years ago
- ☆37Updated 3 years ago
- Subpocket-based fingerprint for kinase pocket comparison☆33Updated 2 years ago
- Mol2vec notebooks for use with Binder service☆29Updated 7 years ago
- Tool for mining structure-property relationships from chemical datasets☆16Updated last month
- ☆45Updated 3 years ago
- An MPI based parallel implementation of Autodock Vina☆16Updated 5 years ago
- High-throughput molecular docking with multiple targets and ligands using Vina series engines☆33Updated 5 years ago
- DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity☆48Updated 2 years ago
- ☆52Updated 3 years ago
- Collection of scripts / notebooks to reliably select datasets☆29Updated last year