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
- Name Reaction Ontology☆42Updated 2 years ago
- Message Passing Neural Networks for Atomic/Bond Property Prediction☆18Updated 4 years ago
- Code for training machine learning model for reaction condition prediction☆42Updated 5 years ago
- A collection of scripts for retrieving, storing, and querying SureChEMBL data.☆39Updated last year
- Chemical Structure Handling for Pandas DataFrames☆33Updated 2 years ago
- Source code and documentation of a computer assisted synthesis planning (CASP) tool used for the analysis of reaction datasets.☆47Updated 4 years ago
- ☆30Updated 2 years ago
- pythonic interface to virtual screening software☆88Updated 2 years ago
- Machine learning predictions of bond dissociation energy☆62Updated 10 months ago
- Retrosynthesis by template prediction (a la Segler and Waller)☆30Updated 6 years ago
- Applying deep neural networks for retrosynthesis tasks☆36Updated 5 years ago
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆45Updated last month
- An NLP-inspired chemical reaction fingerprint based on basic set arithmetic.☆68Updated last month
- ☆28Updated 2 years ago
- Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"☆70Updated 4 years ago
- Synthetic Bayesian Classification☆44Updated 4 years ago
- Retrosynthesis reaction prediction using Transformer sequence to sequence models and SMILES based data augmentation☆63Updated 5 years ago
- blogpost notebooks☆20Updated 4 years ago
- Write reproducible code for getting and processing ChEMBL☆77Updated last week
- ☆100Updated 4 years ago
- Data and model repository for the ASKCOS application☆16Updated 3 years ago
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆60Updated last year
- Python toolkit for resolving chemical schematic diagrams.☆41Updated 5 years ago
- Materials from the 2016 RDKit UGM☆40Updated 8 years ago
- Simplified and standard interface to a number of cheminformatics toolkits☆88Updated last year
- Materials from the (virtual) 2020 RDKit UGM☆52Updated 4 years ago
- Downloads USPTO patents and finds molecules related to keyword queries☆64Updated last year
- Chemistry-related Python utilities used in the RXN universe☆25Updated 11 months ago
- A tool for creating Quantitative Structure Property/Activity Relationship (QSPR/QSAR) models.☆69Updated 3 months ago