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Popular repositories

  1. iacta iacta Public

    Forked from aspuru-guzik-group/iacta

    Code for the paper "Automatic Discovery of Chemical Reactions Using Imposed Activation"

    Python 1

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    ⏬ Dumb downloader that scrapes the web

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  3. Graphormer Graphormer Public

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    Graphormer is a deep learning package that allows researchers and developers to train custom models for molecule modeling tasks. It aims to accelerate the research and application in AI for molecul…

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  4. Solution_for_Every_Gaussian_Error_Message Solution_for_Every_Gaussian_Error_Message Public

    Forked from liyuanhe211/Solution_for_Every_Gaussian_Error_Message

    Reliable explanation and ways to solve the error messages for the Gaussian quantum chemistry program. This is a per request English translation for a long blog in Chinese I wrote a few years back.

  5. NJUCS-Course-Material NJUCS-Course-Material Public

    Forked from zhangyikaii/NJUCS-Course-Material

    南京大学计算机系 课程资料 作业 代码 实验报告 NJU-CS 课程分享计划 🍚​

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  6. nmp_qc nmp_qc Public

    Forked from priba/nmp_qc

    Our own implementation of Neural Message Passing for Computer Vision paper

    Python