volkamerlab Goto Github PK
Name: Volkamer Lab
Type: Organization
Location: Berlin, Germany
Name: Volkamer Lab
Type: Organization
Location: Berlin, Germany
Workflow for the CACHE5 submission of the Volkamer Lab
CICAG workshop on KLIFS, OpenCADD-KLIFS, and KiSSim
Attempts to find hits against covid19
Deep learning in virtual screening, a review
Docking into kinases.
All in one Structure-Based Vitual Screening workflow based on the concept of consensus docking.
Kinase Similarity Assessment Pipeline For Off-Target Prediction
Subpocket-based fragmentation and recombination of kinase inhibitors
Kinase-focused fragment library
Protein kinase-ligand complex generation using template docking
DL models to test added value of using generated complex data for affinity prediction
Subpocket-based fingerprint for kinase pocket comparison
Kinome-wide structural pocket similarity
Utility functions to work with KLIFS data
Check the CI status of the Volkamer Lab's repositories
maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.
TODO
A Python library for structural cheminformatics
Benchmarking the OpenCADD superposition methods
Download PKIDB data and extract PKIs from KLIFS
Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Salentin et al. (2015), https://www.doi.org/10.1093/nar/gkv315
Read-across the targetome
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
TeachOpenCADD talktorial on binding site detection
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.