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Update readme.md

aevans1pushed 1 commit to main • 4be097f…68aa5b4 • 
on Oct 2, 2023

changed rate stuff

aevans1pushed 1 commit to testing • bed1cc3…4b37522 • 
on Jun 6, 2023

shifted dihedrals, added in rate calculation

aevans1pushed 1 commit to testing • 32163e9…bed1cc3 • 
on May 19, 2023

changed imports

aevans1pushed 1 commit to testing • a44b424…32163e9 • 
on May 4, 2023

new dataset for butane_metad

aevans1pushed 1 commit to testing • 0f8e8b2…a44b424 • 
on May 4, 2023

adjusting simulation data

aevans1pushed 1 commit to testing • 6c48d1d…0f8e8b2 • 
on May 1, 2023

fixing sparse/dense diffusion map rebase on butane

aevans1pushed 1 commit to testing • e4ae1d9…6c48d1d • 
on Apr 28, 2023

more testing of diffusion map errors

aevans1pushed 1 commit to testing • 96030c9…e4ae1d9 • 
on Apr 28, 2023

lots of butane experimenting

aevans1pushed 1 commit to testing • 3017ac8…96030c9 • 
on Apr 27, 2023

consolidated metadynamics ipynb and data

aevans1pushed 1 commit to testing • 25e2815…3017ac8 • 
on Apr 17, 2023

fixing script butane

aevans1pushed 3 commits to testing • 40d30f9…25e2815 • 
on Apr 17, 2023

consolidated metadynamics ipynb and data

aevans1pushed 2 commits to testing • 380e811…40d30f9 • 
on Apr 17, 2023

new metadynamics data

aevans1pushed 1 commit to testing • f1e7af5…380e811 • 
on Apr 17, 2023

new metadynamics datasets

aevans1pushed 1 commit to testing • b40f6f2…f1e7af5 • 
on Apr 17, 2023

more tests with subsampling

aevans1pushed 1 commit to testing • 4efd41d…b40f6f2 • 
on Apr 7, 2023

better metad data

aevans1pushed 2 commits to testing • 0a64a92…4efd41d • 
on Apr 6, 2023

trying with converged data

aevans1pushed 1 commit to testing • 9a2473d…0a64a92 • 
on Apr 6, 2023

trying new metadynamis dataset

aevans1pushed 1 commit to testing • a5cf438…9a2473d • 
on Apr 6, 2023

testing with metadynamics data

aevans1pushed 2 commits to testing • 88d0f21…a5cf438 • 
on Apr 4, 2023

adding metadynamics data

aevans1pushed 1 commit to testing • 4782889…88d0f21 • 
on Apr 4, 2023

changing to KNN

aevans1pushed 2 commits to testing • aa85847…4782889 • 
on Apr 4, 2023

updating butane data

aevans1pushed 1 commit to testing • 026e161…aa85847 • 
on Apr 3, 2023

debugging squared distances, butane testing

aevans1pushed 2 commits to testing • 562db84…026e161 • 
on Mar 31, 2023

butane experiments

aevans1pushed 1 commit to testing • 252e846…562db84 • 
on Mar 30, 2023

trying new sparse gradients from generator

aevans1pushed 2 commits to testing • 5644103…252e846 • 
on Mar 29, 2023

adding a simpler diffusion map fil for easier testing

aevans1pushed 1 commit to testing • 4be097f…5644103 • 
on Mar 28, 2023

fixing incorrect density renormalization for dmap and mmap

aevans1pushed 1 commit to main • a2fc1a7…4be097f • 
on Mar 28, 2023

fixing incorrect density renormalization for dmap and mmap

aevans1created testing • 4be097f • 
on Mar 28, 2023