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1. softnanolab/bagel softnanolab/bagel Public

   Protein Engineering via Exploration of an Energy Landscape

   Python 79 11

2. softnanolab/boileroom softnanolab/boileroom Public

   Protein prediction models implemented with Modal

   Python 24 3

3. Future-House/paper-qa Future-House/paper-qa Public

   High accuracy RAG for answering questions from scientific documents with citations

   Python 7.7k 775

4. coarsegrained-md-neural-ode coarsegrained-md-neural-ode Public

   Thesis repository on neural ordinary differential equations used for coarse-graining molecular dynamics

   Python 3 2

5. alchemical-kernels alchemical-kernels Public

   Pytorch implementation of Alchemical Kernels from Phys. Chem. Chem. Phys., 2018,20, 29661-29668

   Python 1

6. md-neural-ode md-neural-ode Public

   First two problems of my Master's Thesis on Coarse-Graining of Molecular Dynamics with Neural Ordinary Differential Equations

   Jupyter Notebook 1 1