frobnitzem/sars_docking frobnitzem/sars_docking

  • Stars
    star
    1
  • Language
    Python
  • License
    Other
  • Created about 2 years ago
  • Updated about 2 years ago
Twitter logo Share LinkedIn logo Share Facebook logo Share
frobnitzem/sars_docking
github

frobnitzem

Reviews

There are no reviews yet. Be the first to send feedback to the community and the maintainers!

Repository Details

Summary secondary data and scripts for working with SARS-Cov2 gigadocking dataset: https://dx.doi.org/10.13139/OLCF/1783186

More Repositories

1

pbctools

Development version of the pbctools plugin for VMD.
Tcl
16
star
2

rbtree

C Implementation of Red/Black Trees
C
6
star
3

libdag

GNU-C and Posix Thread Library for Parallel Execution of Task Graphs
Shell
6
star
4

mpi_list

A package for working with lists distributed over MPI
Python
5
star
5

hirshfeld

Hirshfeld Analysis module for PySCF
Python
4
star
6

spackCF

Spack Wrapper for Compute Facilities
Python
3
star
7

aiowire

aiowire - A simple event loop using asyncio
Python
3
star
8

lclstream

Image streaming application for psana.
Python
2
star
9

chan9

Fork of the go9p library at code.google.com/p/go9p
Go
2
star
10

EwaldCorrel

Simultaneous Implementation of Smooth Particle Mesh Ewald summation and Fourier Space Correlation Calculations
C++
2
star
11

indysccapi

A REST API for Programming Competition Results
Python
2
star
12

scicomp-recipes

Recipes for Scientific Computing
Python
2
star
13

nightly

Nightly Build and Run Testing System
Shell
1
star
14

classifier

Monte Carlo Sampler for Bernoulli Mixture Models
Python
1
star
15

chemparam

Automate force matching for legacy forcefields
Python
1
star
16

hpl-hpcg

HPL & HPCG Walkthrough
HTML
1
star
17

realpole

Code for real-space quadrature representation of multipole expansions
Python
1
star
18

rc-org

An organization promoting the adoption and standardization of the rc shell.
Assembly
1
star
19

psik

Portable Submission Interface for Jobs
Python
1
star
20

BDAS

Parallel Core Data Analytics Methods in Python/Numpy/Cupy/Mpi4Py
Python
1
star
21

slack

SLACK: Standard Linear Array Computation Kernels
TeX
1
star
22

dwork

Distributed Work Scheduling System
C++
1
star
23

sprotoc

Callback-based Implementation of Google Protocol Buffers for C
C++
1
star
24

forcesolve

General Purpose Programmable Force Matching Code
Python
1
star
25

autoQCT

Automated QCT Analysis
Python
1
star