Kristof Farkas-Pall's repositories
alchemlyb
the simple alchemistry library
argo
Argo Workflows: Get stuff done with Kubernetes.
argo-helm
ArgoProj Helm Charts
bioradical
Binding affinity calculator on Radical
haptic-maze
Haptic maze with Ultrahaptics board and Leap
charts
Curated applications for Kubernetes
conjure-java
Conjure generator for Java clients and servers
cron-utils
Cron utils for parsing, validations and human readable descriptions as well as date/time interoperability.
cRonstrue
JavaScript library that converts CRON expressions into human readable descriptions
dna-notes
Notes on my research
dna-quinoxaline-itercalators
Study of a congeneric drug series binding to dna
e-science-experiments
Data for E-science experiments
esmacs
OpenMM implementation of the ESMACS protocol
inspire-kinase-mutants
Kinase mutants dataset for INPSIRE project
kvencoder
Customizable Key Value encoder
logging-log4j2
Apache Log4j 2 is an upgrade to Log4j that provides significant improvements over its predecessor, Log4j 1.x, and provides many of the improvements available in Logback while fixing some inherent problems in Logback's architecture.
pandas_redshift
Load data from redshift into a pandas DataFrame and vice versa.
ParmEd
Parameter/topology editor and molecular simulator
progressbar
Terminal-based progress bar for Java / JVM
radical.pilot
RADICAL-Pilot
SAMPLing
Files for the SAMPLing challenge
supproperty
Superior property
surechembl-data-client
A collection of scripts for retrieving, storing, and querying SureChEMBL data.
wraprun
A flexible ALPS/Aprun task bundler