sriniker / TDT-tutorial-2014Links
Tutorial for the Teach-Discover-Treat (TDT) Competition 2014 - Challenge 1: Anti-Malaria hit finding using classifier-fusion boosted predictive models
☆24Updated 7 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
Sorting:
- Updated version of Silicos-it's shape-based alignment tool☆43Updated last month
- Collection of scripts / notebooks to reliably select datasets☆29Updated last year
- Open-source tool for synthons-based library design.☆82Updated 9 months ago
- ☆29Updated 2 years ago
- ☆27Updated 4 years ago
- Practical Cheminformatics Blog Posts☆66Updated last month
- A knowledge-based method for determining small molecule binding "hotspots".☆37Updated last year
- Implementation of Shape and Electrostatic similarity metric in deepFMPO.☆45Updated 3 years ago
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆45Updated 4 years ago
- Matcher is a tool for understanding how chemical structure optimization problems have been solved. Matcher enables deep control over sear…☆62Updated last year
- ☆47Updated 5 years ago
- Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series☆50Updated 4 years ago
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆45Updated 2 years ago
- ☆17Updated last year
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆39Updated last year
- Kinase-focused fragment library☆66Updated last week
- ☆35Updated last year
- ☆76Updated 2 years ago
- Computational Chemistry Workflows☆55Updated 3 years ago
- Icolos: A workflow manager for structure based post-processing of de novo generated small molecules☆55Updated 2 years ago
- ☆65Updated 4 years ago
- Mordred port in cpp☆50Updated 7 months ago
- Jupyter Notebook Tutorials for Creating Chemical Space Networks☆37Updated last year
- eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.☆49Updated 5 years ago
- Conformer multi-instance machine Learning☆59Updated 3 weeks ago
- Subpocket-based fingerprint for kinase pocket comparison☆34Updated 2 years ago
- Machine learning accelerated docking screens☆62Updated 9 months ago
- ☆51Updated 5 months ago
- Fully automated docking pipeline (can be run in distributed environments)☆51Updated last month
- ☆96Updated 8 months ago