sukritsingh

cardsReader

CARDS-Reader: Methods to analyze CARDS data

bestiary

Editable creature database for Dungeons and Dragons 5e

compchem-class

compchem class materials for Yuanqing Wang

congress-first-said

(In development) Tweets when words are published for the first time in the congressional record

covid19-dataviz

Adventures and experiments in visualizing covid19 case/death/vaccination data

enspara

Modeling molecular ensembles with scalable data structures and parallel computing

experiments-binding-affinity

inhibitor_combinations

ipmapper

Generate a png map given a list of IP addresses (not included)

kinodata

Collection of scripts / notebooks to reliably select datasets

sukritsingh.github.io

gmx-ligand-dissociation-metaD

Input files for setup and running metadynamics simulations for ligand dissociation

kinoml

Structure-informed machine learning for kinase modeling

openmm

OpenMM is a toolkit for molecular simulation using high performance GPU code.

openmm-cookbook

Proof-of-concept for the OpenMM Cookbook

openmm-plumed

OpenMM plugin to interface with PLUMED

pdbfixer

PDBFixer fixes problems in PDB files

pdbwords

Printing text using protein structures

Probabilistic-Programming-and-Bayesian-Methods-for-Hackers

aka "Bayesian Methods for Hackers": An introduction to Bayesian methods + probabilistic programming with a computation/understanding-first, mathematics-second point of view. All in pure Python ;)

Sampling-Uncertainty

Best Practices article intended for LiveCoMS

swc-washu