Pinned Repositories
apayne97.github.io
My personal website!
asapdiscovery.github.io
chemcards
code-examples
Public code to demonstrate packages and functions I'm familiar with.
crowbar
Analysis scripts and tools for simulating and analyzing proteins, with special focus on handling membranes and multiple chains.
asapdiscovery
Toolkit for open antiviral drug discovery by the ASAP Discovery Consortium
asapdiscovery-sars-retrospective
Repository to store the code used for a paper exploring methods for SARS-2 Mpro Docking.
avoidome-analysis
A repository for downloading and analyzing the available Avoidome structures
fragment-fold
The goal of this repository is to house the scripts and data for taking a fragment screen from the Diamond Light Source and generating a modeled fragment screen for a set of related proteins
harbor
A home for docking evaluation and assessment
apayne97's Repositories
apayne97/crowbar
Analysis scripts and tools for simulating and analyzing proteins, with special focus on handling membranes and multiple chains.
apayne97/apayne97.github.io
My personal website!
apayne97/asapdiscovery.github.io
apayne97/chemcards
apayne97/code-examples
Public code to demonstrate packages and functions I'm familiar with.
apayne97/coronavirus
Folding@home COVID-19 efforts
apayne97/coronavirus_structural_task_force
Repository for the molecular structures related with Corona virusses and their re-processing
apayne97/covid
MolSSI SARS-CoV-2 Biomolecular Simulation Data and Algorithm Store
apayne97/covid-19-exchange
apayne97/cpmb
apayne97/cryoem-processing
apayne97/fah-analysis
apayne97/itctools2_test
apayne97/lopls
L-OPLS modifications of the OPLS force field, implemented for GROMACS
apayne97/mda-lddt
apayne97/mdtraj
An open library for the analysis of molecular dynamics trajectories
apayne97/molecool
apayne97/periodic-table
apayne97/practical-python
Practical Python Programming (course by @dabeaz)
apayne97/pymol-scripts
Just a collection of utility scripts for doing stuff in PyMol!
apayne97/stats-spellbook
apayne97/test