warrenheww Goto Github PK

2020ccf-ner

2020 CCF大数据与计算智能大赛-非结构化商业文本信息中隐私信息识别-第7名方案

annotated_deep_learning_paper_implementations

🧑‍🏫 59 Implementations/tutorials of deep learning papers with side-by-side notes 📝; including transformers (original, xl, switch, feedback, vit, ...), optimizers (adam, adabelief, ...), gans(cyclegan, stylegan2, ...), 🎮 reinforcement learning (ppo, dqn), capsnet, distillation, ... 🧠

barnaba

Analyse Nucleic Acids Structure and Simulations with baRNAba

cryoem-notebooks

repository of notebooks for cryoEM

cs2structure

Tools for extracting structural information from NMR chemical shift data

cs_ccme_posts

Gaussian MacOS

deep-learning-slow-modes

Supporting data for the manuscript "Deep learning the slow modes for rare events sampling"

defmap

DEFMap: Dynamics Extraction From cryo-em Map

diffnets

Self-supervised neural nets to understand protein mutations

draw_rna

Draw RNA secondary structures in python.

gromacs2lammps

Gromacs to Lammps simulation converter

handson-ml

A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in python using Scikit-Learn and TensorFlow.

homepage-demo

A beautiful, simple, clean, and responsive Jekyll theme for academics

hypersound-gromacs

Public/backup repository of the GROMACS molecular simulation toolkit. Please do not mine the metadata blindly; we use https://gitlab.com/gromacs/gromacs for code review and issue tracking.

ipymol

Control PyMOL sessions via IPython

math-for-programmers

Source code for the book, Math for Programmers

mdanalysis

MDAnalysis is a Python library to analyze molecular dynamics simulations.

montecarlomd

This python code creates hybrid MD/MC (NAMD/GOMC) simulations for the NVT, NPT, GCMC, and GEMC-NVT ensembles

mpbuilder

MPBuilder provides building capability for protein-detergent, bicelle, and lipid-scaffold (saposin nanoparticles, nanodiscs) complexes and links this to the ATSAS software package modules for model refinement and validation against the SAXS data.

nsfc-application-template-latex

国家自然科学基金申请书正文（面上项目）LaTeX 模板（非官方）

numpy-ml

Machine learning, in numpy

nyu-gsas-thesis-template

NYU GSAS PhD thesis template

openabc_cgmd

OpenMM implementation of MOFF, MRG-CG, and HPS models.

openmm

OpenMM is a toolkit for molecular simulation using high performance GPU code.

opensmog

OpenSMOG is a Python library for performing molecular dynamics simulations using Structure-Based Models. OpenSMOG uses OpenMM.

plumed_metaderr

Metadynamics Error Analysis

pnab

pollack-lab-cornell

Pollack lab

pyautofep

PyAutoFEP: an automated FEP workflow for GROMACS integrating enhanced sampling methods

pycharmm-workshop

pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the University of Michigan by Charles Brooks' Group, June 20-24.