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Name: dalong
Type: User
Location: shanghai, China
dalong's Projects
aizynthfinder
A tool for retrosynthetic planning
alchemical-setup
anaconda
Anaconda turns your Sublime Text 3 in a full featured Python development IDE including autocompletion, code linting, IDE features, autopep8 formating, McCabe complexity checker and Vagrant for Sublime Text 3 using Jedi, PyFlakes, pep8, PyLint, pep257 and McCabe that will never freeze your Sublime Text 3
atomsk
Atomsk: a tool for manipulating and converting atomic data files -
awesome-fortran
Awesome list of Fortran libs
ball
The Biochemical Algorithms Library
barnaba
bayon
a simple and fast clustering tool
befor64
BeFoR64, Base64 encoding/decoding library for FoRtran poor men
biskit
A Python platform for Structural Bioinformatics
cadd_scripts
天津大学 CADD 实验室日常脚本
chainer-chemistry
Chainer Chemistry: A Library for Deep Learning in Biology and Chemistry
charmm-conformation
A set of scripts to perform a conformation search using replica-exchange MD features of the CHARMM molecular modeling code.
charmm-turbomole-examples
Example input files for CHARMM-TURBOMOLE QM/MM MD simulations.
chemfiles
Efficient Chemistry IO library
cheminfbenchmark
Cheminformatics Benchmark Toolkit
chemistry.net
chemkit
A C++ library for molecular modelling, cheminformatics and molecular visualization.
chemopy
Cloned from the chemopy google project
chemprop
Message Passing Neural Networks for Molecule Property Prediction
cluster5d
converter_trjtopdb
corpus
Fortran routines for molecular dynamics analysis & processing
cp2k
Mirror of official svn repository at sourceforge. Synced every 5 minutes.
datamaps
Customizable SVG map visualizations for the web in a single Javascript file using D3.js
decimer
Deep Learning for Chemical Image Recognition (DECIMER)
diffusion_analysis_md_simulations
Python utility functions for the analysis of diffusion in molecular dynamics simulation trajectories.
do_x3dna
To analyze fluctuations in DNA or RNA structures in molecular dynamics trajectories
duck
Dynamic Undocking
dynamics
Dynamics PyMOL Plugin
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