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1. langevin_neural_netslangevin_neural_netsPublic

   For performing langevin dynamics and sequential Monte Carlo on neural networks.

   Jupyter Notebook 1

2. deep_marginal_likelihoodsdeep_marginal_likelihoodsPublic

   A project that explores easy ways to estimate marginal likelihoods in Bayesian problems.

   Jupyter Notebook

3. choderalab/bayesian-free-energieschoderalab/bayesian-free-energiesPublic

   Repository to host our developmental bayesian free energy methods

   Jupyter Notebook 1 2

4. gregoryross.github.iogregoryross.github.ioPublic

   Personal website

   HTML

5. choderalab/saltswapchoderalab/saltswapPublic

   Package to fluctuate the number of counterions in an OpenMM simulation

   Jupyter Notebook 7 3

6. binding_free_energy_benchmarkbinding_free_energy_benchmarkPublic

   A benchmark data set for binding free energy calculations on congeneric series of ligands, along with a survey of experimental binding and functional assays.

   Python 6