tbwxmu / 2019-nCovLinks
research the 2019-nCov and design the inhibitors with AI
☆14Updated 3 years ago
Alternatives and similar repositories for 2019-nCov
Users that are interested in 2019-nCov are comparing it to the libraries listed below
Sorting:
- 2018 RDKit UGM☆14Updated 7 years ago
- Large-scale comparison of machine learning methods for drug target prediction on ChEMBL☆35Updated 5 years ago
- A fork of Autodock Vina for DeltaVina scoring function☆10Updated 9 years ago
- DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity☆48Updated 2 years ago
- Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"☆70Updated 4 years ago
- Generative RNN for molecule de novo design☆20Updated 3 years ago
- Retrosynthesis by template prediction (a la Segler and Waller)☆30Updated 7 years ago
- ☆37Updated 4 years ago
- python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors☆27Updated 4 years ago
- ☆32Updated 8 months ago
- blogpost notebooks☆20Updated 5 years ago
- Spatiotemporal identification of druggable binding sites using deep learning☆22Updated 4 years ago
- ☆31Updated 7 years ago
- ☆16Updated 8 years ago
- Three-dimensional force fields fingerprints☆27Updated 4 years ago
- Open Drug Discovery Toolkit (ODDT) Notebooks 101☆20Updated 7 years ago
- Applying deep neural networks for retrosynthesis tasks☆37Updated 5 years ago
- RDKit code for the JCIM article☆17Updated 12 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
- Derivation of structural alerts from bioactivity data sets☆31Updated 9 years ago
- ☆27Updated 2 years ago
- Remove effects of truncated side-products from read count data of a DNA-encoded library.☆28Updated 5 years ago
- A collection of scripts for retrieving, storing, and querying SureChEMBL data.☆41Updated last year
- 3D diverse conformers generation using rdkit☆23Updated 3 years ago
- Prediction of Potential Inhibitors for Targets(From ChEMBL), Based on Tensorflow.☆15Updated 7 years ago
- ☆17Updated 3 years ago
- Mol2vec notebooks for use with Binder service☆29Updated 7 years ago
- DeltaVina scoring function☆42Updated 8 years ago
- QBMG: Quasi-Biogenic Molecule Generator with Deep Recurrent Network☆19Updated 6 years ago