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inchi-js

InChI for the Browser

indigo

Indigo: a cheminformatics toolkit. Bingo: RDBMS data cartridge for Oracle, MS SQL Server, and PostgreSQL

jarvis

jrgui

js-workflow

Modelize a workflow for JavaScript. Server side only. ES6 based.

jsmoleditor

JavaScript based molecule structure editor

json-fortran

A Fortran 2008 JSON API

jsworkflow

an opensource javascript workflow project

jupyter-caf-kernel

:sparkles: A Coarray Fortran Jupyter notebook kernel :cloud: :computer: :notebook: :zap:

jupyter-fortran-kernel

Minimal Jupyter Fortran kernel

jupyter_contrib_nbextensions

A collection of various notebook extensions for Jupyter

ketcher

Web-based molecule sketcher

ketcher-1

Ketcher: web-based chemical sketcher

l1l2py

l1l2py is a Python package to perform variable selection by means of l1l2 regularization with double optimization.

lammps

lammps-1

Public development project of the LAMMPS MD software package

lasagne

Lightweight library to build and train neural networks in Theano

layui

采用自身模块规范编写的前端UI框架，遵循原生 HTML/CSS/JS 的书写形式，极低门槛，拿来即用。

learning

levenberg-marquardt

Curve fitting method in javascript

libmsym

molecular point group symmetry lib

livizjs

Interactive Graphviz in javascript

machinelearning

My blogs and code for machine learning. http://cnblogs.com/pinard

makenn1

mini tool for drawing a neural network graph.

matgenb

Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.

matterport

Matterport3D is a pretty awesome dataset for RGB-D machine learning tasks :)

mdanalysis

MDAnalysis is a Python library to analyze molecular dynamics trajectories.

mdts

Materials Design by Monte Carlo Tree Search

medicalnet

Many studies have shown that the performance on deep learning is significantly affected by volume of training data. The MedicalNet project provides a series of 3D-ResNet pre-trained models and relative code.

mgac2

The MGAC2 Crystal Structure Prediction Software