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vvoelz
/
biceps
Bayesian inference of conformational populations
https://github.com/vvoelz/biceps
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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
5 years ago
1
Using `Releases`
#58
robraddi
opened
5 years ago
1
NPZ dictionary format (from 'arr_0' to multiple arrays with specific names)
#57
robraddi
closed
5 years ago
1
Packaging Python Projects
#56
robraddi
closed
5 years ago
4
biceps.convergence module
#55
vvoelz
closed
5 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
6 years ago
0
Sorting data order
#47
yunhuige
closed
5 years ago
0
slow initialization
#46
yunhuige
closed
5 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
6 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
3 years ago
3
Think of any ideas about the overall structure of BICePs webpage
#40
yunhuige
closed
5 years ago
1
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