Pinned Repositories
AutoDock-Vina
AutoDock Vina
cctbx_project
Computational Crystallography Toolbox
Colabs
My repository of Google Colab notebooks
decoywebhook
testing wp webhook w/ git it write
gemile
Meeko
Interfacing RDKit and AutoDock
openmmforcefields
CHARMM and AMBER forcefields for OpenMM (with small molecule support)
pdbtbx
A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.
reduce
Reduce - tool for adding and correcting hydrogens in PDB files
rtd-tutorial
rwxayheee's Repositories
rwxayheee/AutoDock-Vina
AutoDock Vina
rwxayheee/cctbx_project
Computational Crystallography Toolbox
rwxayheee/Colabs
My repository of Google Colab notebooks
rwxayheee/decoywebhook
testing wp webhook w/ git it write
rwxayheee/gemile
rwxayheee/Meeko
Interfacing RDKit and AutoDock
rwxayheee/openmmforcefields
CHARMM and AMBER forcefields for OpenMM (with small molecule support)
rwxayheee/pdbtbx
A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.
rwxayheee/reduce
Reduce - tool for adding and correcting hydrogens in PDB files
rwxayheee/rtd-tutorial
rwxayheee/rwxayheee.github.io
A website I set up to post notes with links & markdowns
rwxayheee/SAQS
Single Atom Query Selector
rwxayheee/SPINACH
SPline INterpolators for AlCHemical simulations
rwxayheee/scrubber
Enumerate conformational, protomeric, and pH-related microstates for docking with AutoDock