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apajanssen's Projects
adplugin
Autodock/Vina plugin for PyMol by Daniel Seeliger
alphafold2import
PyMOL plugin to import Alphafold2 models hosted by EMBL, based on fetch-functionality
drugdiscoverymaps
Drug Discovery Maps: executable, python implementation and KNIME workflow
drugex
An exploration strategy improves the diversity of de novo drug design using deep reinforcement learning
entry-cli
Command line app for predicting bacterial accumulation
fetchpdbredo
PyMOL plugin to have 'fetch_redo' functionality loading a PDB structure from the PDB Redo server
kinasedocker2
A PyMOL plugin with accompanying Docker image for kinase inhibitor binding and affinity prediction
kinasedocker2-paper-code
*Code to reproduce the work described in the paper*
knime_maxquant_processing
Automated workflows for the processing of MaxQuant proteomics output
openfold
Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2
opentsne
Extensible, parallel implementations of t-SNE, includes tsnecuda support
reduce
Reduce plugin for PyMOL
smilestoobject
PyMOL plugin to convert SMILES to molecules
structuremap
Python package for investigating the structural context of PTMs
vinagpu
Highly parallel docking pipeline using Vina-GPU (dockerized) + AutoDock Vina CPU workers
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