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22 followers · 14 following

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Achievement: QuickdrawAchievement: Pull Sharkx2Achievement: Arctic Code Vault Contributor

Achievements

Achievement: QuickdrawAchievement: Pull Sharkx2Achievement: Arctic Code Vault Contributor

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Dom1L/README.md

👨‍💻 About Me :

  • 🔭 Accelerating molecular materials design with machine learning and ab initio simulations
  • :atom: Quantum Chemistry, Cheminformatics, Protein Design
  • 🤖 Machine Learning and Data Science
  • 🕸️ Sometimes I do web stuff

🛠️ Languages and Tools :

Data Science and Machine Learning

Python  Pytorch  Tensorflow  Pandas 

Web Development

Django  Flask  JavaScript  CSS  HTML 

Various

Docker  MySQL 

Pinned Loading

  1. coarse-graining/cgnet coarse-graining/cgnet Public

    learning coarse-grained force fields

    Python 57 26

  2. qml qml Public

    Forked from qmlcode/qml

    QML: Quantum Machine Learning

    Python

  3. atomistic-machine-learning/schnetpack atomistic-machine-learning/schnetpack Public

    SchNetPack - Deep Neural Networks for Atomistic Systems

    Python 786 215

  4. pocketoptimizer pocketoptimizer Public

    Forked from Hoecker-Lab/pocketoptimizer

    Binding pocket optimization based on force fields and docking scoring functions

    Rich Text Format

  5. GDSC23 GDSC23 Public

    Capgemini Global Data Science Challenge 2023 | Biodiversity Buzz | Solution of the team "It is a bug"

    Jupyter Notebook 6 5

  6. Graph2Structure Graph2Structure Public

    Python 1