- 👋 Hi, I’m @adilpsn
- 👀 I’m interested in computational chemistry and machine learning
- 🌱 I’m currently learning machine learning potentials
- 💞️ I’m looking to collaborate on ...
- 📫 How to reach me adilpsn@gmail.com
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EnsembleMTD
EnsembleMTD PublicEnsemble RMSD-driven metadynamics for electrolyte-reduction pathway discovery (GFN2-xTB + ReacNetGenerator)
Python
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