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500lines

500 Lines or Less

arpeggio

Calculation of interatomic interactions in molecular structures

awesome-python

A curated list of awesome Python frameworks, libraries, software and resources

backup

bionavi-np

Biosynthesis Navigator for Natural Products

coursera-ml-andrewng-notes

吴恩达老师的机器学习课程个人笔记

crawdad_project_3

This is the third Crawdad Project on The Hartree-Fock self-consistent field (SCF) procedure.

datagpt

datascience

Curated list of Python resources for data science.

dd_protocol

Official repository for the Deep Docking protocol

django-blog

django搭建博客

findproteinstar

fuzzy-guide

gnina

A deep learning framework for molecular docking

gqms_website

hbind

Calculates hydrogen-bond interaction tables for protein-small molecule complexes, based on protein PDB and protonated ligand MOL2 structure input. Raschka et al. (2018) J. Computer-Aided Molec. Design

kaggle-notebook

learngit

leetcode

LeetCode Solutions: A Record of My Problem Solving Journey.( leetcode题解，记录自己的leetcode解题之路。)

leetcode-

leetcodeanimation

Demonstrate all the questions on LeetCode in the form of animation.（用动画的形式呈现解LeetCode题目的思路）

likun1212

Config files for my GitHub profile.

lineardesign

The LinearDesign mRNA design software.

machine-learning-programming-assignments-coursera-andrew-ng

Solutions to Andrew NG's machine learning course on Coursera

mandor2

protein design algorithms for peptides

manim

Animation engine for explanatory math videos

mdtraj

An open library for the analysis of molecular dynamics trajectories

ml-andrewng-python

molpro-orbital-read

This script reads a molpro output and sequentially prints to the screen all orbital coefficients larger than the given threshold.

openff-toolkit

The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io