-
https://pubs.acs.org/doi/full/10.1021/ct0502864
kntkb updated
2 years ago
-
I get the following error messages. Seems to just be an issue with compiling the helper code, so will go away with 3.0.
---
Collecting pymbar
Using cached pymbar-2.1.0-beta.tar.gz
…
-
@mrshirts @msoroush @jpotoff
I decided to keep track of the manuscript feedback on GitHub. You are welcome to respond via email because I will copy all comments to this issue tracker anyways:
I …
-
[pymbar-3.0.3-intel-2020a-Python-3.8.2.eb](https://github.com/easybuilders/easybuild-easyconfigs/blob/develop/easybuild/easyconfigs/p/pymbar/pymbar-3.0.3-intel-2020a-Python-3.8.2.eb)
Thanks!
-
貼吧活動：(請查閱 [SARS-CoV-2 Timeline by 2020.02.21](https://github.com/agorahub/_meta/blob/agoran/theagora/sari/Memorandum_2020-02-21_SARS-CoV-2-Timeline_Nathan.pdf?raw=true), by Nathan :cloud: )
- Colla…
-
https://arxiv.org/abs/1704.00891
Elegant paper on how to derive MBAR using the idea of importance sampling from mixture distributions
kntkb updated
2 years ago
-
Hi,
After installing pymbar I tried to install the Alchemical Analysis package (https://github.com/MobleyLab/alchemical-analysis), but when I type "sudo python setup.py install" I get the error in th…
-
Pymbar cannot be installed from pypi because `pymbar/_pymbar.c` is missing from the tarball.
I try to install pymbar on python 2.7 in a fresh virtualenv:
```bash
mkvirtualenv pymbar-test -p pyt…
-
It would be useful to have an implementation of WHAM with MDAnalysis to be able to run alongside other analysis of a set of trajectories from Umbrella Sampling (US), either a wrapper for an existing v…
-
- [x] @jchodera: both assaytools and assaytools-dev are named "development snapshot" in their description
- [x] @danielparton one of either `clusterutils` or `cluster-utils` is old and should be remov…