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tyf0n's Projects

aparapi icon aparapi

mirror/mavenization of http://code.google.com/p/aparapi bytecode->opencl lib

block_program icon block_program

Solving a combinatorial problem using a dynamic programming solution.

capacmd icon capacmd

A Molecular Dynamics Simulation Engine Using Capacitance-Polarizability Force Field

cdk icon cdk

The Chemistry Development Kit

charmm-conformation icon charmm-conformation

A set of scripts to perform a conformation search using replica-exchange MD features of the CHARMM molecular modeling code.

charmm36 icon charmm36

CHARMM36/EEF1-SB force fields for PHAISTOS

chemobabel.sty icon chemobabel.sty

LaTeX package for generating chemical structural formula from ChemDraw files or SMILES notations using Open Babel

colvars icon colvars

Collective variables module for molecular simulation programs

cremer_pople_puckering_analysis_mall icon cremer_pople_puckering_analysis_mall

This repo contains a python script that can be used to calculate the Cremer-Pople (CP) puckering parameters given the six independent dihedral angles of a pyranose ring

curl icon curl

Curl is a tool and libcurl is a library for transferring data with URL syntax, supporting FTP, FTPS, HTTP, HTTPS, GOPHER, TFTP, SCP, SFTP, TELNET, DICT, LDAP, LDAPS, FILE, IMAP, SMTP, POP3, RTSP and RTMP. libcurl offers a myriad of powerful features

d3 icon d3

A JavaScript visualization library for HTML and SVG.

ffmpegripdvdscript icon ffmpegripdvdscript

A simple window batch script to convert and combine DVD .VOB video clips into a video.

frog2 icon frog2

2D/3D generation for small compounds

genetic-algorithms icon genetic-algorithms

Showcasing the concept of Genetic Algorithms with the example of the Travelling Salesman Problem (in CoffeeScript)

ggplot2 icon ggplot2

An implementation of the Grammar of Graphics in R

goagent icon goagent

a gae proxy forked from gappproxy/wallproxy

heatmap.js icon heatmap.js

JavaScript Library for HTML5 canvas based heatmaps

iqmol icon iqmol

IQmol is an open source molecular editor and visualization package

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