generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions.
☆16Oct 19, 2019Updated 6 years ago
Alternatives and similar repositories for BioMedR
Users that are interested in BioMedR are comparing it to the libraries listed below
Sorting:
- ☆13Sep 4, 2021Updated 4 years ago
- ☆13Sep 8, 2021Updated 4 years ago
- a deep learning framework for essential protein prediction☆13Mar 24, 2023Updated 2 years ago
- ☆13Dec 18, 2019Updated 6 years ago
- An Integrative Drug Repurposing Pipeline using KNIME and Programmatic Data Access: A case study on COVID-19 Data☆15Sep 29, 2020Updated 5 years ago
- MolDesigner: Interactive Design of Efficacious Drugs with Deep Learning (NeurIPS 2020 Demo)☆16Nov 27, 2020Updated 5 years ago
- LigTMap currently supports prediction for 17 protein target classes that include 6000+ protein targets.☆16Feb 20, 2021Updated 5 years ago
- ChEMBL Similarity Search☆18Nov 28, 2020Updated 5 years ago
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆22Sep 22, 2023Updated 2 years ago
- My (small) research project in solubility of drug-like molecules☆17Jan 4, 2021Updated 5 years ago
- Pytorch implementation of BionoiNet, which is a deep learning-based software to classify ligand-binding sites.☆20Jun 22, 2021Updated 4 years ago
- Python interface for the RCSB search API.☆20Mar 20, 2024Updated last year
- ProQDock is a Protein-Protein docking scoring program that uses high level coordinate driven features compiled and trained by a Support V…☆11Dec 11, 2021Updated 4 years ago
- ☆11Nov 30, 2024Updated last year
- ☆11Apr 10, 2022Updated 3 years ago
- A Python toolbox to work with molecular similarity☆44Sep 9, 2025Updated 5 months ago
- Kinase-focused fragment library☆67Jan 28, 2026Updated last month
- ☆24Sep 26, 2022Updated 3 years ago
- Integrative modeling of PROTAC-mediated ternary complex☆29May 4, 2022Updated 3 years ago
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 8 years ago
- ☆10Jun 5, 2021Updated 4 years ago
- This repository contains all DeepCLIP Python code☆11May 30, 2024Updated last year
- ☆10Sep 25, 2019Updated 6 years ago
- Data repository for pkasolver☆12Mar 28, 2022Updated 3 years ago
- Convert MSP files into a database☆10May 4, 2021Updated 4 years ago
- ☆10May 17, 2021Updated 4 years ago
- Online solubility prediction tool (streamlit) that runs the top-performing ML model (AqSolPred).☆10Nov 11, 2024Updated last year
- Binding Affinity Prediction using Deep learning models☆12Jun 9, 2021Updated 4 years ago
- Project for integration of OPS and the Knime workflow engine☆14Aug 12, 2015Updated 10 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
- ☆12Jul 3, 2021Updated 4 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
- ☆13Dec 5, 2024Updated last year
- Methods of druglikeness prediction☆16Nov 7, 2022Updated 3 years ago
- ☆11Apr 22, 2024Updated last year
- Analyse metabolic stability predictions using SHapley Additive exPlanations.☆11Jul 26, 2023Updated 2 years ago
- Graph Neural Networks for Drug Efficacy Prediction☆11Sep 11, 2022Updated 3 years ago
- ☆10Feb 14, 2022Updated 4 years ago
- A deep learning framework for predicting chemical synthesis☆26Aug 12, 2024Updated last year