An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data
☆15Sep 29, 2020Updated 5 years ago
Alternatives and similar repositories for Drug-Repurposing-in-KNIME
Users that are interested in Drug-Repurposing-in-KNIME are comparing it to the libraries listed below
Sorting:
- LigTMap currently supports prediction for 17 protein target classes that include 6000+ protein targets.☆16Feb 20, 2021Updated 5 years ago
- MolDesigner: Interactive Design of Efficacious Drugs with Deep Learning (NeurIPS 2020 Demo)☆16Nov 27, 2020Updated 5 years ago
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆22Sep 22, 2023Updated 2 years ago
- ☆28Mar 16, 2023Updated 2 years ago
- ☆13Dec 18, 2019Updated 6 years ago
- ABC of chemoinformatics☆20Aug 3, 2018Updated 7 years ago
- ☆17Dec 21, 2022Updated 3 years ago
- generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions.☆16Oct 19, 2019Updated 6 years ago
- Source codes for 'A baseline for reliable molecular prediction models via Bayesian learning'☆29Nov 16, 2020Updated 5 years ago
- Hierarchical Embedding for Drugs☆16Apr 18, 2024Updated last year
- Generative RNN for molecule de novo design☆20Jan 21, 2022Updated 4 years ago
- An implementation of the Solubility Forecast Index (SFI)☆24Oct 6, 2025Updated 5 months ago
- ChEMBL Similarity Search☆18Nov 28, 2020Updated 5 years ago
- This code trains a graph convolutional network in Torch Geometric to predict the solubility of molecules☆17Dec 16, 2020Updated 5 years ago
- ☆10Apr 22, 2019Updated 6 years ago
- Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules☆14Nov 21, 2022Updated 3 years ago
- Kinase-focused fragment library☆67Jan 28, 2026Updated last month
- Molecular SMILE generation with recurrent neural networks☆21Jul 13, 2025Updated 7 months ago
- Novel molecules generation with LSTM☆18Sep 2, 2020Updated 5 years ago
- ☆24Sep 26, 2022Updated 3 years ago
- ☆10Sep 25, 2019Updated 6 years ago
- Graph Neural Networks for Drug Efficacy Prediction☆11Sep 11, 2022Updated 3 years ago
- A novel hybrid method for generating molecules with desired property scores.☆42Oct 26, 2021Updated 4 years ago
- Data repository for pkasolver☆12Mar 28, 2022Updated 3 years ago
- Methods of druglikeness prediction☆16Nov 7, 2022Updated 3 years ago
- Online solubility prediction tool (streamlit) that runs the top-performing ML model (AqSolPred).☆10Nov 11, 2024Updated last year
- Project for integration of OPS and the Knime workflow engine☆14Aug 12, 2015Updated 10 years ago
- ☆10May 17, 2021Updated 4 years ago
- Binding Affinity Prediction using Deep learning models☆12Jun 9, 2021Updated 4 years ago
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 8 years ago
- ☆12Jul 3, 2021Updated 4 years ago
- Analyse metabolic stability predictions using SHapley Additive exPlanations.☆11Jul 26, 2023Updated 2 years ago
- 🔍 Fit3D - An application for template-based detection of small structural motifs in protein structures and macromolecular structure data…☆11Oct 16, 2018Updated 7 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
- ☆11Apr 22, 2024Updated last year
- A deep learning framework for predicting chemical synthesis☆26Aug 12, 2024Updated last year
- GenUI frontend application. It provides a GUI to the GenUI REST API web services.☆23Sep 4, 2023Updated 2 years ago
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆28May 16, 2021Updated 4 years ago
- A Python library for structural cheminformatics☆104Nov 18, 2025Updated 3 months ago