Accio / AMIDDLinks
Introduction to Applied Mathematics and Informatics in Drug Discovery (AMIDD)
☆32Updated 2 weeks ago
Alternatives and similar repositories for AMIDD
Users that are interested in AMIDD are comparing it to the libraries listed below
Sorting:
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆15Updated 5 years ago
- A package for MD, Docking and Machine learning drug discovery pipeline☆44Updated 5 years ago
- Coloring molecules with explainable artificial intelligence☆16Updated 4 years ago
- Computational Analysis of Novel Drug Opportunities☆40Updated last week
- Derivation of structural alerts from bioactivity data sets☆31Updated 9 years ago
- ☆37Updated 3 years ago
- ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model☆14Updated 5 years ago
- ☆17Updated 3 years ago
- ☆14Updated 2 years ago
- Mol2vec notebooks for use with Binder service☆29Updated 7 years ago
- Generative RNN for molecule de novo design☆20Updated 3 years ago
- Official repository for multitask deep learning models.☆20Updated 5 years ago
- ☆32Updated 9 months ago
- PCA and normal mode analysis of proteins☆20Updated last year
- PKSmart: Predicting PK properties using Chemical Structures☆18Updated 3 months ago
- Python for chemoinformatics☆52Updated 6 years ago
- ☆45Updated 3 years ago
- Tool for mining structure-property relationships from chemical datasets☆16Updated 2 months ago
- Subpocket-based fingerprint for kinase pocket comparison☆33Updated 2 years ago
- Open Drug Metabolism & PharmacoKinetics (OpenDMPK) is an open source data resource and toolkit for predicting drug metabolism and pharmac…☆26Updated 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
- Prediction of Potential Inhibitors for Targets(From ChEMBL), Based on Tensorflow.☆15Updated 7 years ago
- Prediction of compound synthesis accessibility bashed on reaction knowledge graph☆18Updated 3 years ago
- Tutorial on the usage of Rdkit, Pandas, sklearn, machine learning, descriptor calculation, etc.. in the context of bioactivity predictive…☆14Updated 11 years ago
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆21Updated 3 years ago
- Protein-Ligand Interaction Fingerprints☆21Updated 5 years ago
- Tools and routines to calculate distances between synthesis routes and to cluster them.☆28Updated 9 months ago
- An MPI based parallel implementation of Autodock Vina☆17Updated 5 years ago
- Protwis is the backbone of the GPCRdb. The GPCRdb contains reference data, interactive visualisation and experiment design tools for G pr…☆44Updated last month
- My (small) research project in solubility of drug-like molecules☆18Updated 5 years ago