vvoelz / biceps

Bayesian inference of conformational populations

https://github.com/vvoelz/biceps

vvoelz/biceps Issues

Missing a negative sign before a Karplus parameter
Closed a year ago1
installation instructions
Updated 3 years ago2
multiprocessing error in albo example
Updated 4 years ago2
Links for libraries needed to install dependences
Closed 4 years ago
Missing files in sdist
Closed a year ago5
Analysis enhancement for large trajectories
Updated 4 years ago
re-calculate BICePS scores for apoMb to get a correct version of Figure
Updated 4 years ago1
Calculate overlap matrix along with MBAR calculation
Updated 4 years ago
Enhancements for tutorials/examples
Updated 4 years ago
Super simple example of BiCeps in a tutorial?
Updated 4 years ago2
put replica averaging in new branch?
Closed 4 years ago1
Tutorial not working?
Updated 4 years ago2
mini-biceps for training parameters in lnPF calculation
Closed 4 years ago3
try run MBAR using subsampled (decorrelated) trajectory for population estimation and BICePs score calculation
Updated 4 years ago
check latest BICePs version (__init__.py)
Closed 4 years ago1
Plotting traces with 100M steps
Closed 4 years ago1
Parallel lambdas
Closed 4 years ago2
Sphinx Version Error with Python 2 & Cython Compiled code
Closed 4 years ago1
Check Deps
Updated 4 years ago1
Using `Releases`
Updated 5 years ago1
NPZ dictionary format (from 'arr_0' to multiple arrays with specific names)
Closed 5 years ago1
Packaging Python Projects
Closed 5 years ago4
biceps.convergence module
Closed 5 years ago3
RTD sphinx-autodoc - failed to import module named 'mdtraj' - can't read our python code
Closed 5 years ago4
Things to put in the BICePs 2.0 paper
Updated 5 years ago
Some functions to add
Updated 5 years ago2
Support Cryo-EM experimental data
Updated 6 years ago
TO DO: adjust_weights function and equivalency_groups related part in Restraint_noe is not finished
Closed 6 years ago1
may need to fix in the future...
Closed 4 years ago2
create a project for BICePs on SimTK
Updated 4 years ago
Sorting data order
Closed 5 years ago
slow initialization
Closed 5 years ago1
give user an estimate or runtime and disk space used by output files
Updated 6 years ago1
simple shape analogy example
Closed 6 years ago3
Compiling issues with tabs
Closed 6 years ago2
Webhook issue
Closed 4 years ago
Come up with a logo design of BICePs
Closed 3 years ago3
Think of any ideas about the overall structure of BICePs webpage
Closed 5 years ago1
Use alternative method for rendering jupiter notebooks on readthedocs
Closed 5 years ago
prepare examples based on previous projects using new scripts
Closed 5 years ago
Write sample function in PosteriorSampling in C or C++
Updated 6 years ago
possible functions in toolbox
Updated 4 years ago2
setup.py
Updated 6 years ago3
unify function or variable names for "distance" and "noe"
Closed 6 years ago1
"docstrings"
Closed 4 years ago1
IDEA: replica averaging
Updated 6 years ago1
Reading YAML
Closed 6 years ago1
Move arguments in runme file to new_master.py
Closed 6 years ago1
sampler.sample issues organizing the results section
Closed 6 years ago
Change experimental observable names variables as short as possible
Closed 6 years ago15