Project for integration of OPS and the Knime workflow engine
☆14Aug 12, 2015Updated 10 years ago
Alternatives and similar repositories for OPS-Knime
Users that are interested in OPS-Knime are comparing it to the libraries listed below
Sorting:
- Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization☆13Apr 29, 2020Updated 5 years ago
- Modeling framework for eTRANSAFE project☆13Aug 6, 2025Updated 6 months ago
- ABC of chemoinformatics☆20Aug 3, 2018Updated 7 years ago
- ☆10Apr 22, 2019Updated 6 years ago
- xGAP is an efficient, modular, extensible and fault-tolerant pipeline for massively parallelized genomic analysis/variant discovery from …☆11Oct 21, 2020Updated 5 years ago
- ☆10May 17, 2021Updated 4 years ago
- Analyse metabolic stability predictions using SHapley Additive exPlanations.☆11Jul 26, 2023Updated 2 years ago
- ☆12Jul 3, 2021Updated 4 years ago
- ☆11Apr 22, 2024Updated last year
- Online solubility prediction tool (streamlit) that runs the top-performing ML model (AqSolPred).☆10Nov 11, 2024Updated last year
- Data repository for pkasolver☆12Mar 28, 2022Updated 3 years ago
- ☆10Sep 25, 2019Updated 6 years ago
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 8 years ago
- Binding Affinity Prediction using Deep learning models☆12Jun 9, 2021Updated 4 years ago
- Python wrapper for OSRA. Supports R-Group logic and integration with ChemSchematicResolver☆10Apr 4, 2020Updated 5 years ago
- Kinome-wide structural pocket similarity☆10Dec 26, 2022Updated 3 years ago
- Paper for release☆11Sep 24, 2021Updated 4 years ago
- De Novo Drug Design by Iterative Multi-Objective Deep Reinforcement Learning with graph-based Molecular Quality Assessment☆14Mar 20, 2023Updated 2 years ago
- The Supplementary data in the paper "A Survey and Systematic Assessment of Computational Methods for Drug Response Prediction"☆12Sep 27, 2019Updated 6 years ago
- ☆12Dec 10, 2020Updated 5 years ago
- Prediction of Potential Inhibitors for Targets(From ChEMBL), Based on Tensorflow.☆15May 5, 2018Updated 7 years ago
- Focused multi-day workshop covering the material needed for a successful RNA-Seq experiment.☆16Sep 6, 2018Updated 7 years ago
- ☆13Sep 4, 2021Updated 4 years ago
- ☆12Jun 3, 2019Updated 6 years ago
- ☆13Jun 9, 2021Updated 4 years ago
- ☆12Oct 21, 2018Updated 7 years ago
- Supporting Information of Publications☆14Mar 24, 2019Updated 6 years ago
- ☆12Aug 23, 2018Updated 7 years ago
- Generative models of chemical data for PaccMann^RL☆13Jun 2, 2023Updated 2 years ago
- ☆13Sep 8, 2021Updated 4 years ago
- Blood–Brain Barrier Penetration Prediction Enhanced by Uncertainty Estimation☆12Feb 24, 2022Updated 4 years ago
- PIDGINv4☆13Mar 15, 2022Updated 3 years ago
- ☆14Sep 1, 2022Updated 3 years ago
- ☆16Apr 29, 2020Updated 5 years ago
- Supporting models and data to doi 10.1021/acs.jcim.1c01163☆15Oct 11, 2022Updated 3 years ago
- Command line tool to generate Kripo fingerprints from Protein Data Bank files.☆17Dec 26, 2022Updated 3 years ago
- ☆14Jul 5, 2022Updated 3 years ago
- ☆13Dec 18, 2019Updated 6 years ago
- ☆10Apr 20, 2022Updated 3 years ago