MobleyLab / DEL_analysisLinks
Code to analyze the data from DNA-encoded libraries (DELs)
☆11Updated 2 years ago
Alternatives and similar repositories for DEL_analysis
Users that are interested in DEL_analysis are comparing it to the libraries listed below
Sorting:
- Open-source tool for synthons-based library design.☆85Updated last year
- ☆63Updated 10 months ago
- Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".☆45Updated 2 years ago
- ☆30Updated 2 years ago
- ☆32Updated 3 years ago
- Official implementation of "Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design"☆68Updated last year
- ☆64Updated 2 years ago
- Conformer multi-instance machine Learning☆60Updated 4 months ago
- Kinase-focused fragment library☆67Updated last week
- rdkit scripts making life easier☆77Updated last month
- Thompson Sampling☆79Updated 9 months ago
- ☆92Updated last year
- Implementation of Lilly Medchem Rules - J Med Chem 2012☆97Updated 3 months ago
- DeepFrag is a deep convolutional neural network that guides ligand optimization by extending a ligand with a molecular fragment, such tha…☆29Updated 7 months ago
- AI-powered Virtual Screening☆85Updated 2 years ago
- Code to perform scaffold hopping and virtual screening using WHALES descriptors.☆33Updated 5 years ago
- 3D pharmacophore signatures and fingerprints☆111Updated 8 months ago
- ☆77Updated 2 years ago
- Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation☆67Updated 3 months ago
- Official Github for "PharmacoNet: deep learning-guided pharmacophore modeling for ultra-large-scale virtual screening" (Chemical Science)☆85Updated 6 months ago
- Cheminformatics tool that extends the decomposition of molecules into Bemis-Murcko frameworks.☆52Updated 10 months ago
- Module containing scripts to perform multiple comparison simultaneously and getting the exact same value as the average pairwise comparis…☆60Updated 2 months ago
- Retrosynthetic Accessibility (RA) score learned from computer aided synthesis planning☆92Updated 4 years ago
- ☆66Updated 4 years ago
- An (unofficial) Python3 module to query the SmallWorld chemical space search server (https://sw.docking.org/search.html)☆46Updated 2 years ago
- ☆100Updated last year
- Pipeline converting PDB files to docking-ready PDBQT format☆21Updated 9 months ago
- An open library to work with pharmacophores.☆49Updated 2 years ago
- Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning☆19Updated 2 years ago
- ☆28Updated 2 years ago