Lists (21)
Bioinformatics
Cheminformatics
Chemistry synthesis
Computational Chemistry
Data Analysis and Visualization
Education - Data Science
IDPs
Repositories related to Intrinsically Disordered Proteinsimage-analysis
KNIME
Miscellaneous
Molecular Dynamics
Molecular Growth
pKa
PPI & PP Docking
PyMOL
QSAR
RDKit
Rosetta
Structure Prediction & Analysis
Visualization
VS and Binding Prediction
Stars
Awesome Privacy - A curated list of services and alternatives that respect your privacy because PRIVACY MATTERS.
Personalized Unattended Answer Files that helps automatically debloat and customize Windows 10 & 11 during the installation process.
Fake creative cloud for linux (install official adobe apps)
Lightroom CC for Linux in a electron wrapper
A script that install Illustrator 2021 on Linux
Illustrator CC v17 installer for Gnu/Linux
Installer from Photoshop CC 2021 to 2022 on linux with a GUI
Photoshop CC v19 installer for Gnu/Linux
NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model
repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model
Run Windows apps such as Microsoft Office/Adobe in Linux (Ubuntu/Fedora) and GNOME/KDE as if they were a part of the native OS, including Nautilus integration.
Chris Titus Tech's Windows Utility - Install Programs, Tweaks, Fixes, and Updates
Python package for graph neural networks in chemistry and biology
Computational toolbox for virtual High Throughput Screening
KNIME node which launches a web browser with moleculer viewer powered by webgl
A potential solution to the early-stage small molecule hit identification
A WebGL viewer for UMAP or TSNE-clustered images
DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
Evolutionary algorithm for the optimization of molecular properties
PyScript is an open source platform for Python in the browser. Try PyScript: https://pyscript.com Examples: https://tinyurl.com/pyscript-examples Community: https://discord.gg/HxvBtukrg2
A fast docking tool with the random drift particle swarm optimization and based on the framework of AutoDock Vina and PSOVina
a tool for protein-ligand binding affinity prediction
AutoDock CrankPep for peptide and disordered protein docking
GaudiMM: A modular optimization platform for molecular design
The Complementarity Plot for protein - protein docking
Fusion models for Atomic and molecular STructures (FAST)
A scoring function based on Extra Trees algorithm for predicting ligand-protein binding affinity