jule-c / ET-ToxView external linksLinks
ET-Tox
☆12Oct 4, 2024Updated last year
Alternatives and similar repositories for ET-Tox
Users that are interested in ET-Tox are comparing it to the libraries listed below
Sorting:
- Molecular Hypergraph Neural Network☆43Jul 4, 2025Updated 7 months ago
- A Unified Language Model to Integrate Biomedical Text with 2D and 3D Molecular Representations https://academic.oup.com/bioinformatics/ar…☆25Jul 19, 2024Updated last year
- ☆25Jan 30, 2025Updated last year
- Spatiotemporal identification of druggable binding sites using deep learning☆22Mar 16, 2021Updated 4 years ago
- ChemBFN: Bayesian Flow Network Framework for Chemistry Tasks. Developed in Hiroshima University.☆28Feb 6, 2026Updated last week
- ☆24Mar 25, 2024Updated last year
- HELM-GPT: de novo macrocyclic peptide design using generative pre-trained transformer☆30Jul 4, 2024Updated last year
- KDS software for Kinase Drug Selectivity☆11Jun 8, 2023Updated 2 years ago
- A Python package for amino acid sequence analysis. Proforma 2.1 complicant.☆14Feb 6, 2026Updated last week
- Machine learning desktop application for molecular property prediction and analysis☆21Aug 30, 2025Updated 5 months ago
- ☆10Feb 3, 2025Updated last year
- ☆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
- notes and materials from dbug meetings☆10Sep 26, 2018Updated 7 years ago
- Project for integration of OPS and the Knime workflow engine☆14Aug 12, 2015Updated 10 years ago
- ☆13Apr 15, 2024Updated last year
- ☆13Dec 5, 2024Updated last year
- ☆13Jun 23, 2025Updated 7 months ago
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 8 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
- A collection of transformer-based models and developmental scripts presented in the publication "Transformers enable accurate prediction …☆16Oct 3, 2025Updated 4 months ago
- A script using RDKit to reproduce the BBB score reported by Gupta.☆11Jul 20, 2021Updated 4 years ago
- Binding Affinity Prediction using Deep learning models☆12Jun 9, 2021Updated 4 years ago
- Machine Learning based toxicity prediction tool for small molecules.☆11Feb 13, 2024Updated 2 years ago
- Analyse metabolic stability predictions using SHapley Additive exPlanations.☆11Jul 26, 2023Updated 2 years ago
- ☆10Sep 25, 2019Updated 6 years ago
- Molecular dynamics without molecules: searching the conformational space of proteins with generative neural networks☆11Jun 13, 2022Updated 3 years ago
- Online solubility prediction tool (streamlit) that runs the top-performing ML model (AqSolPred).☆10Nov 11, 2024Updated last year
- Contributed and additional nodes for maize☆21Nov 4, 2025Updated 3 months ago
- This repository contains all DeepCLIP Python code☆11May 30, 2024Updated last year
- Data repository for pkasolver☆12Mar 28, 2022Updated 3 years 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
- Methods of druglikeness prediction☆16Nov 7, 2022Updated 3 years ago
- Efficient Sampling of PROTAC-Induced Ternary Complexes☆12Jun 3, 2025Updated 8 months ago
- ParetoDrug☆10Sep 3, 2024Updated last year
- Code for training a language model reaction predictor. (To accompany our paper on the OOD evaluation of reaction predictors).☆12Jan 13, 2025Updated last year
- Calibrated clustering via knockoffs for single-cell genomics☆10Feb 13, 2025Updated last year