vvoelz biceps issues - Githubissues

vvoelz / biceps

Bayesian inference of conformational populations

https://github.com/vvoelz/biceps

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issues

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Missing a negative sign before a Karplus parameter

#89 robraddi closed 1 year ago
1
adding figures

#88 robraddi closed 2 years ago
0
Changes/additions made after reviewing manuscript

#87 robraddi closed 2 years ago
0
Bump pip from 19.0.3 to 21.1

#86 dependabot[bot] closed 2 years ago
0
Bump pip from 19.0.3 to 19.2

#85 dependabot[bot] closed 2 years ago
1
installation instructions

#84 yunhuige opened 3 years ago
2
Cleanup with tests

#83 robraddi closed 3 years ago
0
Cleanup with tests

#82 robraddi closed 3 years ago
0
albocycline example tests merge request

#81 vvoelz closed 3 years ago
0
BICePs v2.0 preliminary release

#80 robraddi closed 3 years ago
0
multiprocessing error in albo example

#79 vvoelz opened 3 years ago
2
Links for libraries needed to install dependences

#78 vvoelz closed 3 years ago
0
Missing files in sdist

#77 thatch closed 1 year ago
5
Analysis enhancement for large trajectories

#76 robraddi opened 4 years ago
0
Documentation/tutorials/examples/ enhancements

#75 robraddi closed 4 years ago
0
Enhanced Src code—Restraint.py

#74 robraddi closed 4 years ago
0
re-calculate BICePS scores for apoMb to get a correct version of Figure

#73 vvoelz opened 4 years ago
1
Calculate overlap matrix along with MBAR calculation

#72 vvoelz opened 4 years ago
0
Enhancements for tutorials/examples

#71 robraddi opened 4 years ago
0
2to3/Optimization

#70 robraddi closed 4 years ago
0
Super simple example of BiCeps in a tutorial?

#69 vvoelz opened 4 years ago
2
2to3 branch merge to master branch

#68 robraddi closed 4 years ago
0
put replica averaging in new branch?

#67 vvoelz closed 4 years ago
1
Tutorial not working?

#66 vvoelz opened 4 years ago
2
mini-biceps for training parameters in lnPF calculation

#65 yunhuige closed 4 years ago
3
try run MBAR using subsampled (decorrelated) trajectory for population estimation and BICePs score calculation

#64 yunhuige opened 4 years ago
0
check latest BICePs version (__init__.py)

#63 robraddi closed 4 years ago
1
Plotting traces with 100M steps

#62 robraddi closed 4 years ago
1
Parallel lambdas

#61 robraddi closed 4 years ago
2
Sphinx Version Error with Python 2 & Cython Compiled code

#60 robraddi closed 4 years ago
1
Check Deps

#59 robraddi opened 4 years ago
1
Using `Releases`

#58 robraddi opened 4 years ago
1
NPZ dictionary format (from 'arr_0' to multiple arrays with specific names)

#57 robraddi closed 4 years ago
1
Packaging Python Projects

#56 robraddi closed 4 years ago
4
biceps.convergence module

#55 vvoelz closed 4 years ago
3
RTD sphinx-autodoc - failed to import module named 'mdtraj' - can't read our python code

#54 robraddi closed 5 years ago
4
Things to put in the BICePs 2.0 paper

#53 vvoelz opened 5 years ago
0
Some functions to add

#52 yunhuige opened 5 years ago
2
Support Cryo-EM experimental data

#51 yunhuige opened 5 years ago
0
TO DO: adjust_weights function and equivalency_groups related part in Restraint_noe is not finished

#50 yunhuige closed 5 years ago
1
may need to fix in the future...

#49 yunhuige closed 4 years ago
2
create a project for BICePs on SimTK

#48 yunhuige opened 5 years ago
0
Sorting data order

#47 yunhuige closed 5 years ago
0
slow initialization

#46 yunhuige closed 4 years ago
1
give user an estimate or runtime and disk space used by output files

#45 vvoelz opened 6 years ago
1
simple shape analogy example

#44 robraddi closed 5 years ago
3
Compiling issues with tabs

#43 robraddi closed 6 years ago
2
Webhook issue

#42 yunhuige closed 4 years ago
0
Come up with a logo design of BICePs

#41 yunhuige closed 2 years ago
3
Think of any ideas about the overall structure of BICePs webpage

#40 yunhuige closed 4 years ago
1