chembl / mychemblLinks
Resources used to create the myChEMBL virtual machine
☆57Updated 8 years ago
Alternatives and similar repositories for mychembl
Users that are interested in mychembl are comparing it to the libraries listed below
Sorting:
- blogpost notebooks☆20Updated 4 years ago
- ☆28Updated 2 years ago
- Applying deep neural networks for retrosynthesis tasks☆36Updated 5 years ago
- ☆66Updated 6 years ago
- Molecular standardisation tool☆77Updated 4 years ago
- A collection of scripts for retrieving, storing, and querying SureChEMBL data.☆39Updated last year
- Deep-learning models for Drug Discovery and Quantum Chemistry☆27Updated 7 years ago
- ☆31Updated 2 months ago
- RDKit Tools for the IPython Notebook☆46Updated 6 years ago
- A Recurrent Neural Network implementation that uses SMILES strings to generate molecules from GDB-13☆30Updated 6 years ago
- ☆46Updated 2 years ago
- Python library and command-line tool for extracting compounds from scientific literature. Written in Python.☆47Updated 5 years ago
- Conda build recipe for the rdkit☆50Updated 3 years ago
- Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"☆70Updated 4 years ago
- 2018 RDKit UGM☆14Updated 6 years ago
- Containerised components for cheminformatics and computational chemistry☆36Updated 2 years ago
- 3D diverse conformers generation using rdkit☆23Updated 3 years ago
- A high level cheminformatics package for the Scientific Python stack, built on RDKit.☆64Updated 5 years ago
- Official Implementation for "Seq2seq Fingerprint: An Unsupervised Deep Molecular Embedding for Drug Discovery".☆39Updated 7 years ago
- Large-scale comparison of machine learning methods for drug target prediction on ChEMBL☆35Updated 4 years ago
- Tool for mining structure-property relationships from chemical datasets☆16Updated 8 months ago
- ☆31Updated 7 years ago
- CheTo - Chemical Topic Modeling☆32Updated 4 years ago
- Derivation of structural alerts from bioactivity data sets☆30Updated 9 years ago
- Web Interface for ChEMBL @ EMBL-EBI☆51Updated 3 years ago
- Materials from the 2016 RDKit UGM☆40Updated 8 years ago
- A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.☆69Updated last year
- TargetDB is a tool to quickly querry multiple publicly available databases and provide an integrated view of the information available ab…☆32Updated last year
- The MinHashed Atom Pair fingerprint of radius 2☆115Updated 2 years ago
- Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool☆77Updated 3 years ago