Sunhwan Jo's repositories
jupyter-kroki-magic
A Jupyter Notebook %%magic for drawing diagrams using kooky.io
REST2-examples
REST2 Examples
vue-multipane3
Resizable split panes for Vue.js 3 and typescript
antibiotic
Reproducing results from "A Deep Learning Approach to Antibiotic Discovery"
DockingPie
A Consensus Docking Plugin for PyMOL
flyte
Scalable and flexible workflow orchestration platform that seamlessly unifies data, ML and analytics stacks.
fpocket
fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scientific community willing to develop new scoring functions and extract pocket descriptors on a large scale level. fpocket is distributed as free open source software. If you are interested in integrating fpocket in an industrial setting and require official support, please contact Discngine (www.discngine.com).
learn-to-smell
Repository for learn-to-smell competition
Meeko
Interfacing RDKit and AutoDock
rd_filters
A script to run structural alerts using the RDKit and ChEMBL
smirnoff-host-guest-simulations
Host-guest binding free energy calculations (mostly setup and analysis) using SMIRNOFF99Frosst.
stk
A Python library which allows construction and manipulation of complex molecules, as well as automatic molecular design and the creation of molecular databases.
vue-dock-menu
⚓Dockable Menu bar for Vue