acruzpr Goto Github PK

.vmd.d

VMD configuration files

acpype

A tool based in Python to use Antechamber to generate topologies for chemical compounds and to interface with others python applications like CCPN or ARIA.

allen-tildesley

Sample code from Allen & Tildesley's Computer Simulation of Liquids, 1st Ed. See https://github.com/Allen-Tildesley/examples for modernized and updated examples from the 2nd edition.

ambermini

A stripped-down set of just antechamber, sqm, and tleap.

argh

Argh! A minimalist argument handler.

argparse

A slimline C++ class for parsing command-line arguments, with an interface similar to python's class of the same name

argparse-1

Powerful C++ command-line argument parsing inspired by Python's argparse package

args

A simple header-only C++ argument parser library. Supposed to be flexible and powerful, and attempts to be compatible with the functionality of the Python standard argparse library (though not necessarily the API).

aria2

aria2 is a lightweight multi-protocol & multi-source, cross platform download utility operated in command-line. It supports HTTP/HTTPS, FTP, SFTP, BitTorrent and Metalink.

arm_neon_2_x86_sse

arpeggio

Calculation of interatomic interactions in molecular structures

atom

The hackable text editor :atom:

autodockvina-vinardo

Based on Autodock vina and smina vinardo parameters

backmap

Calculates protien/polymer backbone properties using the Ramachandran number

ball

The Biochemical Algorithms Library

biggergist

repository for containing code that enables users to run GIST on large regions of interest via a massively serial approach

bitbucket-backup

Backup all your Bitbucket Repositories with this Shell Script. No extra packages needed.

books

Collection of Programming, Databases, Linux & Tools Books

books-1

Owsome books to understand different concepts

caffe-for-cudnn-v2.5.48

Caffe: a fast open framework for deep learning.

caffetk1

Working version of Caffe with the Jetson TK1 with cuDNN v2. Must copy libhdf5 and libhdf5_hl to usr/local/lib

character-builder-5

A Character Builder for 5e

chemkit

A C++ library for molecular modelling, cheminformatics and molecular visualization.

chemlab

The chemistry library you were waiting for

cianfrocco-and-leschziner-emcloudprocessing

Scripts and wiki associated with Cianfrocco and Leschziner, 2015: Single particle cryo-electron microscopy image processing in the cloud.

codebuilds

Community builds of Visual Studio Code for Chromebooks and Raspberry Pi

compsci-2016

Repository for the computational sciences project of 2016/2017

conan

Analysis of contacts in molecular dynamics trajectories

conky.conf

my conky.conf including Uptime CPU MEM NET DiskIO FileSystemInfo BatteryInfo

covidtest

test covid hsa visualization