qzchen2022

qzchen2022

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Weighted_Histogram_Analysis_Method

MATLAB code for unbiasing MCMC umbrella sampling simulations using Weighted Histogram Analysis Method

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Book7_Visualizations-for-Machine-Learning

Book_7_《机器学习》 | 鸢尾花书:从加减乘除到机器学习;本册上传部分草稿,2023年初会继续上传稿件。欢迎大家提意见哈,注意下载最新版本

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ChatPaper

Use ChatGPT to summarize the arXiv papers. 全流程加速科研,利用chatgpt进行论文总结+润色+审稿+审稿回复

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fluent-python-notebooks

Jupyter notebooks and example code for the book Fluent Python

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geodesic-interpolate

Interpolation of molecular geometries through geodesics in redundant internal coordinate hyperspace for complex transformations

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gpt4free

decentralising the Ai Industry, just some language model api's...

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openmm_metadynamics

toy metadynamics example

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structure_factor_extrapolation

extrapolates single component radial distribution function to infinity for full structure factor calculation

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z_pmf

Calculation of potential of mean force (PMF) from umbrella sampling simulations using the weighted histogram analysis method (WHAM)

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