aravindhnivas / ChemXploreMLView external linksLinks
Machine learning desktop application for molecular property prediction and analysis
☆21Aug 30, 2025Updated 5 months ago
Alternatives and similar repositories for ChemXploreML
Users that are interested in ChemXploreML are comparing it to the libraries listed below
Sorting:
- PostgreSQL Docker image with RDKit cartridge☆19May 18, 2020Updated 5 years ago
- KDS software for Kinase Drug Selectivity☆11Jun 8, 2023Updated 2 years ago
- ☆10Dec 10, 2021Updated 4 years ago
- Website for the 2021-2022 Caltech class Bi/BE/CS 183: Introduction to Computational Biology and Bioinformatics☆10Mar 11, 2022Updated 3 years ago
- App for serotonergic targets☆12Jan 8, 2026Updated last month
- DockCADD An automated computational framework for molecular docking☆15Mar 9, 2025Updated 11 months ago
- ☆10Sep 11, 2025Updated 5 months ago
- ☆11Apr 22, 2024Updated last year
- Molecular dynamics without molecules: searching the conformational space of proteins with generative neural networks☆11Jun 13, 2022Updated 3 years ago
- Python API for Ansys Lumerical☆20Feb 8, 2026Updated last week
- ☆12Jul 3, 2021Updated 4 years ago
- ☆14Nov 6, 2023Updated 2 years ago
- ☆10May 17, 2021Updated 4 years ago
- Methods of druglikeness prediction☆16Nov 7, 2022Updated 3 years ago
- Contributed and additional nodes for maize☆21Nov 4, 2025Updated 3 months ago
- This repository provides an implementation of the DTi2Vec tool, to identify Drug-Target interaction using network embedding and ensemble …☆12Sep 28, 2021Updated 4 years ago
- notes and materials from dbug meetings☆10Sep 26, 2018Updated 7 years ago
- Online solubility prediction tool (streamlit) that runs the top-performing ML model (AqSolPred).☆10Nov 11, 2024Updated last year
- ☆11Jul 1, 2024Updated last year
- ☆13Dec 5, 2024Updated last year
- Efficient Sampling of PROTAC-Induced Ternary Complexes☆12Jun 3, 2025Updated 8 months ago
- Calibrated clustering via knockoffs for single-cell genomics☆10Feb 13, 2025Updated last year
- ☆11Oct 1, 2025Updated 4 months ago
- Project for integration of OPS and the Knime workflow engine☆14Aug 12, 2015Updated 10 years ago
- Data analytics library for Python and suite of open source, command line based data ops tools.☆14Dec 8, 2022Updated 3 years ago
- ☆13Jun 23, 2025Updated 7 months ago
- Binding Affinity Prediction using Deep learning models☆12Jun 9, 2021Updated 4 years ago
- ☆13Apr 15, 2024Updated last year
- Data repository for pkasolver☆12Mar 28, 2022Updated 3 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
- Analyse metabolic stability predictions using SHapley Additive exPlanations.☆11Jul 26, 2023Updated 2 years ago
- Chemical molecule custom component for Streamlit apps☆15Dec 12, 2024Updated last year
- ☆10Sep 25, 2019Updated 6 years ago
- This repository contains all DeepCLIP Python code☆11May 30, 2024Updated last year
- A script using RDKit to reproduce the BBB score reported by Gupta.☆11Jul 20, 2021Updated 4 years ago
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 8 years ago
- Interpretable PROTAC degradation prediction with structure-informed deep ternary attention framework☆12Oct 6, 2025Updated 4 months ago
- Kinetic Monte Carlo simulator for polymerization reactions☆12Dec 30, 2016Updated 9 years ago
- cursor can now read your terminal in realtime☆21Sep 14, 2025Updated 5 months ago