Nathan M. Lim
Nathan M. Lim
Hello, this is a great tool! I've used this as a basis for writing some code to start analyzing my trades. Just wondering if it is possible to include deposits/withdrawals...
This project looks neat but when I try to login via http://localhost:3000/?challenge_required=true and enter my 2FA I get the following error both through the docker installation and ruby installation 
Links referring to `Python_Linux_Vi` in the lectures [`README.md`](https://github.com/MobleyLab/drug-computing/blob/master/uci-pharmsci/lectures/README.md) are broken. Additionally, the links in the [`README.md`](https://github.com/MobleyLab/drug-computing/blob/master/uci-pharmsci/lectures/Python_Linux_Vi/README.md) file in the `Python_Linux_Vi` directory are also broken.
Is there a way to use the hyperparameter optimization code you have here to optimize some of the parameters for the sklearn RandomForest model? Particularly looking at trying various radius...
Example below, where my `LangevinIntegrator` contains the boolean for `._meaure_heat`. I then pass it into a `CompoundIntegrator` and attempt to reset the `LangevinIntegrator` and get an error saying that it...
I'm working on a project that requires PDBFixer to be conda installable and I would like to pin it to a particular version as opposed to pdbfixer-dev. Specifically, can a...
I'm experiencing some slow downs in performance when using the NetCDF reporter from MDTraj versus the DCD reporter from OpenMM. When using the NetCDF reporter the performance declines the longer...
## Description Significant changes to the overall BLUES API, where much of the refactoring is to follow similar structure to the `openmmtools` toolkit. "Move" classes are now what carry out...
This PR adds in an analysis module I've been working on that automatically identify metastable ligand binding modes using tools from PyEMMA. Included is a juypter notebook that provides a...
Given the latest changes from PR #117 and PR #132 . I need to do the following: - [ ] Update the API docs and class diagrams - [x] Update...