Markov Reweighting Toolkit
- Author: John Russo
- Free software: MIT license
- Documentation: https://mr-toolkit.readthedocs.io
Tools for reweighting Markov models.
Todo
- Remove
deeptimedependency for kmeans -- replace withsklearn - Remove
msm_wedependency for connected sets -- really heavy - Replace
pyemmadependencies withdeeptime(probably want to write some tests first) - Sample NESS splicing + estimation notebook
- Sample reweighting notebook
- Sample Sigopt hyperparameter optimization notebook
Copyright
Copyright (c) 2023, John Russo
Acknowledgements
Project based on the Computational Molecular Science Python Cookiecutter version 1.1.
1 maintainer
Metadata
1 maintainer
Release files for mr-toolkit 0.0.5
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| mr_toolkit-0.0.5.tar.gz | 34.2 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| mr_toolkit-0.0.5-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 69.2 kB
Release files / mr_toolkit-0.0.5.tar.gz
| Download URL | mr_toolkit-0.0.5.tar.gz |
|---|---|
| Size | 34.2 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
9045422338493efaf2cba6b121907307261d9d744224aab216eaa940bdd627c0
|
|
BLAKE2b-256 checksum How to use checksums |
d04c4073b4b8a63401e92a45d6972daf62a418cdd5266d790086f90692f2e3e3
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/4.0.2 CPython/3.11.0
|
Release files / mr_toolkit-0.0.5-py3-none-any.whl
| Download URL | mr_toolkit-0.0.5-py3-none-any.whl |
|---|---|
| Size | 35.0 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
c28c2b2f04351cec164b546c466c00daaa34ca4d8e48a7aa558ede79ad44317b
|
|
BLAKE2b-256 checksum How to use checksums |
162ff3ca8e77f888261cad992270198cf770e4990abce339983e0f5e12eda744
|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/4.0.2 CPython/3.11.0
|
