totient-bio / deldenoiserLinks
Remove effects of truncated side-products from read count data of a DNA-encoded library.
☆28Updated 5 years ago
Alternatives and similar repositories for deldenoiser
Users that are interested in deldenoiser are comparing it to the libraries listed below
Sorting:
- Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".☆43Updated 2 years ago
- ☆32Updated 3 years ago
- 3D diverse conformers generation using rdkit☆23Updated 3 years ago
- ☆47Updated 5 years ago
- ☆77Updated 2 years ago
- RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening☆49Updated 7 years ago
- Conformer multi-instance machine Learning☆59Updated 3 months ago
- Extended Connectivity Interaction Features☆31Updated 4 years ago
- An implementation of the Free-Wilson SAR analysis method using the RDKit☆60Updated 3 years ago
- RF-Score-VS binary☆31Updated 7 years ago
- Practical Cheminformatics Blog Posts☆67Updated last month
- ☆101Updated 10 months ago
- Fully automated docking pipeline (can be run in distributed environments)☆53Updated last week
- Open-source tool for synthons-based library design.☆85Updated last year
- Kinase-focused fragment library☆67Updated last month
- python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors☆27Updated 4 years ago
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆45Updated 2 years ago
- Optimized version of the Reaction Decoder Tool (RDTool)☆18Updated 5 years ago
- A knowledge-based method for determining small molecule binding "hotspots".☆37Updated last year
- Tutorial for the Teach-Discover-Treat (TDT) Competition 2014 - Challenge 1: Anti-Malaria hit finding using classifier-fusion boosted pred…☆24Updated 8 years ago
- RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout patched-rdock after clone if you want patch…☆71Updated 3 years ago
- Updated version of Silicos-it's shape-based alignment tool☆46Updated 3 months ago
- All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.☆50Updated 2 months ago
- The code for the QuickVina homepage.☆36Updated 3 years ago
- Implementation of Lilly Medchem Rules - J Med Chem 2012☆95Updated 2 months ago
- ☆31Updated 2 years ago
- pKAI: a fast and interpretable deep learning approach to accurate electrostatics-driven pKa prediction☆30Updated 4 years ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆57Updated 2 weeks ago
- Massively multitask stacked model for predicting activity of thousands of biological assays☆34Updated 4 years ago
- Collection of scripts / notebooks to reliably select datasets☆29Updated last year