rwxayheee

Scripps Research

Pinned Repositories

AutoDock-GPU
AutoDock for GPUs and other accelerators
Language:C++391 15 204107
AutoDock-Vina
AutoDock Vina
Language:C++596 26 285209
AutoDock-Vina
AutoDock Vina
Language:C++1 0 00
decoywebhook
testing wp webhook w/ git it write
00
Meeko
Interfacing RDKit and AutoDock
Language:Python00
openmmforcefields
CHARMM and AMBER forcefields for OpenMM (with small molecule support)
Language:Python00
reduce
Reduce - tool for adding and correcting hydrogens in PDB files
Language:C++0 0 00
rwxayheee.github.io
A website I set up to post notes with links & markdowns
Language:HTML00
SAQS
Single Atom Query Selector
Language:Python0 1 00
SPINACH
SPline INterpolators for AlCHemical simulations
Language:Python0 1 00

rwxayheee's Repositories

rwxayheee/AutoDock-Vina
AutoDock Vina
Language:C++1 0 00
rwxayheee/decoywebhook
testing wp webhook w/ git it write
00
rwxayheee/Meeko
Interfacing RDKit and AutoDock
Language:Python00
rwxayheee/openmmforcefields
CHARMM and AMBER forcefields for OpenMM (with small molecule support)
Language:Python00
rwxayheee/reduce
Reduce - tool for adding and correcting hydrogens in PDB files
Language:C++0 0 00
rwxayheee/rwxayheee.github.io
A website I set up to post notes with links & markdowns
Language:HTML00
rwxayheee/SAQS
Single Atom Query Selector
Language:Python0 1 00
rwxayheee/SPINACH
SPline INterpolators for AlCHemical simulations
Language:Python0 1 00