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:
- ☆47Updated 5 years ago
- A knowledge-based method for determining small molecule binding "hotspots".☆37Updated last year
- python code for calculating the WHALES (Weighted Holistic Atom Localization and Entity Shape) molecular descriptors☆27Updated 4 years ago
- PIDGINv4☆12Updated 3 years ago
- DeepDelta is a pairwise deep learning approach based on Chemprop that processes two molecules simultaneously and learns to predict proper…☆46Updated last year
- Extended Connectivity Interaction Features☆31Updated 4 years ago
- 3D diverse conformers generation using rdkit☆23Updated 3 years ago
- PKSmart: Predicting PK properties using Chemical Structures☆17Updated last month
- pKAI: a fast and interpretable deep learning approach to accurate electrostatics-driven pKa prediction☆29Updated 4 years ago
- Collection of scripts / notebooks to reliably select datasets☆29Updated last year
- ☆27Updated 2 years ago
- Open-source tool for synthons-based library design.☆82Updated 9 months ago
- ☆21Updated 2 years ago
- Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".☆41Updated last year
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆39Updated 2 years ago
- Optimized version of the Reaction Decoder Tool (RDTool)☆18Updated 5 years ago
- Subpocket-based fingerprint for kinase pocket comparison☆34Updated 2 years ago
- Tutorial for the Teach-Discover-Treat (TDT) Competition 2014 - Challenge 1: Anti-Malaria hit finding using classifier-fusion boosted pred…☆24Updated 7 years ago
- Updated version of Silicos-it's shape-based alignment tool☆43Updated last month
- Practical Cheminformatics Blog Posts☆66Updated last week
- RF-Score-VS binary☆31Updated 6 years ago
- ☆35Updated last year
- Conformer multi-instance machine Learning☆59Updated last month
- ProCare: A Point Cloud Registration Approach to Align Protein Cavities☆30Updated 2 years ago
- Fully automated docking pipeline (can be run in distributed environments)☆51Updated last month
- // PROJECT PAUSED FOR NOW (lack of capacity) // Protein cavity identification and automatic subpocket decomposition☆45Updated 2 years ago
- pains filter using rdktit☆11Updated 10 years ago
- ☆31Updated 3 years ago
- ☆17Updated last year
- Kinome-wide structural pocket similarity☆10Updated 2 years ago