Tutorial for the Teach-Discover-Treat (TDT) Competition 2014 - Challenge 1: Anti-Malaria hit finding using classifier-fusion boosted predictive models
☆25Dec 21, 2017Updated 8 years ago
Alternatives and similar repositories for TDT-tutorial-2014
Users that are interested in TDT-tutorial-2014 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Supporting Information of Publications☆14Mar 24, 2019Updated 7 years ago
- Notebook for standardization of actvity data, nonadditivity analysis and its evaluation.☆12Mar 16, 2023Updated 3 years ago
- A place to store and edit the lab handbook for UCL courses that involve the use of open source tools in molecular docking.☆31Aug 9, 2022Updated 4 years ago
- cime public repository☆32Jan 12, 2023Updated 3 years ago
- ☆29Mar 16, 2023Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- A collection of IPython Notebooks on chemoinformatics☆13Mar 29, 2016Updated 10 years ago
- ☆65Feb 16, 2021Updated 5 years ago
- Generation of new putative Mdmx inhibitors from scratch based on Recurrent Neural Networks and molecular docking.☆10Jun 27, 2019Updated 7 years ago
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 9 years ago
- Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series☆54Apr 22, 2021Updated 5 years ago
- ☆27Sep 1, 2021Updated 5 years ago
- Collection of scripts / notebooks to reliably select datasets☆31Jan 28, 2024Updated 2 years ago
- TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data☆1,092Updated this week
- Target prediction multitask neural network, with examples running it in Python, C++, Julia and JS☆22Jun 24, 2026Updated 4 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- These files are meant to accompany "What are our models really telling us? A practical tutorial on avoiding common mistakes when buildin…☆13May 22, 2013Updated 13 years ago
- Notebooks and files from the paper De novo Design and Bioactivity Prediction of SARS-CoV-2 Main Protease Inhibitors using Recurrent Neura…☆14Jan 13, 2023Updated 3 years ago
- Materials from the Intro to the RDKit tutorial at AIDD 2021☆21Oct 19, 2021Updated 5 years ago
- Code for "De novo molecular design with chemical language models"☆17Nov 10, 2021Updated 4 years ago
- A Highly Opinionated List of Open Source Cheminformatics Resources☆200Nov 19, 2020Updated 5 years ago
- Materials from the 2016 RDKit UGM☆40Jan 9, 2017Updated 9 years ago
- Implementation of the SGNN graph neural network for 1H and 13C NMR prediction and a tool for distinguishing different molecules based on …☆18Sep 29, 2023Updated 3 years ago
- ☆15Aug 13, 2021Updated 5 years ago
- MGA☆44Jan 15, 2021Updated 5 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆38Feb 14, 2022Updated 4 years ago
- Optimizing blood-brain barrier permeation through Deep Reinforcement Learning for de novo drug design☆14Apr 22, 2021Updated 5 years ago
- This repository is the used for teaching the Physical Chemistry Practicum about Molecular Dynamics (MD) simulations for pharmacy and biol…☆12May 7, 2025Updated last year
- Practical Cheminformatics Blog Posts☆73Feb 10, 2026Updated 8 months ago
- RDKit related blog posts, notebooks, and data.☆159Aug 25, 2026Updated 2 months ago
- ☆43Apr 21, 2022Updated 4 years ago
- Pharmacokinetic property prediction with QSAR modeling☆10Feb 1, 2025Updated last year
- ☆22Jan 5, 2025Updated last year
- Materials from the (virtual) 2020 RDKit UGM☆52Oct 26, 2020Updated 6 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- blogpost notebooks☆20Aug 18, 2020Updated 6 years ago
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆29Apr 6, 2022Updated 4 years ago
- mirror of https://zhanglab.ccmb.med.umich.edu/EDTSurf/☆10Jun 20, 2023Updated 3 years ago
- ☆78Aug 3, 2023Updated 3 years ago
- Derivation of structural alerts from bioactivity data sets☆32Mar 6, 2016Updated 10 years ago
- Python 3 fork for the preparation scripts contained in AutoDockTools☆20Aug 12, 2021Updated 5 years ago
- Some useful RDKit functions☆242Oct 15, 2026Updated 2 weeks ago