gorgitko / molminerLinks
Python library and command-line tool for extracting compounds from scientific literature. Written in Python.
☆47Updated 5 years ago
Alternatives and similar repositories for molminer
Users that are interested in molminer are comparing it to the libraries listed below
Sorting:
- RDKit Tools for the IPython Notebook☆46Updated 6 years ago
- pythonic interface to virtual screening software☆87Updated 2 years ago
- Chemical Structure Handling for Pandas DataFrames☆33Updated 2 years ago
- Message Passing Neural Networks for Atomic/Bond Property Prediction☆18Updated 4 years ago
- ☆97Updated 4 years ago
- Code for training machine learning model for reaction condition prediction☆42Updated 5 years ago
- CheTo - Chemical Topic Modeling☆32Updated 4 years ago
- ☆30Updated 2 years ago
- Applying deep neural networks for retrosynthesis tasks☆37Updated 5 years ago
- Simplified and standard interface to a number of cheminformatics toolkits☆88Updated last year
- Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"☆70Updated 4 years ago
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆68Updated 3 weeks ago
- Synthetic Bayesian Classification☆43Updated 4 years ago
- Materials from the (virtual) 2020 RDKit UGM☆52Updated 4 years ago
- Name Reaction Ontology☆42Updated 2 years ago
- ☆46Updated 2 years ago
- Data and model repository for the ASKCOS application☆16Updated 3 years ago
- Write reproducible code for getting and processing ChEMBL☆76Updated last month
- Implementation of Lilly Medchem Rules - J Med Chem 2012☆87Updated 2 months ago
- A high level cheminformatics package for the Scientific Python stack, built on RDKit.☆64Updated 5 years ago
- ☆31Updated 2 months ago
- Utilities for working with datasets of chemical reactions, reaction templates and template extraction.☆72Updated last month
- The MinHashed Atom Pair fingerprint of radius 2☆115Updated 2 years ago
- eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.☆49Updated 4 years ago
- Retrosynthesis reaction prediction using Transformer sequence to sequence models and SMILES based data augmentation☆63Updated 5 years ago
- ☆28Updated 2 years ago
- Action sequence prediction for arbitrary chemical equations☆26Updated 4 years ago
- Open-source tool for synthons-based library design.☆79Updated 5 months ago
- ☆73Updated 2 years ago
- Python for chemoinformatics☆51Updated 6 years ago