BingqingCheng / ASAP

ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.

BingqingCheng/ASAP Issues

ValueError: Expected 2D array, got 1D array instead:
Closed 2 months ago30
TypeError: __init__() got an unexpected keyword argument 'rcut'
Closed a year ago2
broken "-ua" option
Updated 2 years ago5
python package
Updated 2 years ago13
reproduce example from documentation
Closed 3 years ago1
KPCA: projection of arbitrary vector after kpca is done
Closed 4 years ago5
document --reducer-type in asap command line
Updated 4 years ago1
no apparent way to control SOAP hypers in asap command, and defaults aren't great
Closed 4 years ago8
Tsne has no transform
Closed 4 years ago9
DScribe now supports coherent averaging
Closed 4 years ago3
parallelise descriptor computation.
Closed 4 years ago3
show progress bar
Closed 4 years ago1
compute_atomic_descriptors fails when sbs isn't passed in
Closed 4 years ago2
no way to access atomic descriptors
Updated 4 years ago4
Problems with installing ASAP
Closed 4 years ago6
documentation of python interface
Updated 4 years ago4
multiple maps with the same PCA vectors
Updated 4 years ago2
clingo not available on CentOS 7 or OS X
Closed 4 years ago2
pca.py defaults
Closed 4 years ago
How do I add new dependencies to the continuous integration build?
Closed 4 years ago3
Broken Examples
Closed 4 years ago6
consider using `click` to streamline the cli
Closed 4 years ago
clustering.py doesn't work
Closed 4 years ago3
centring in KPCA
Closed 5 years ago1
Broken Examples
Closed 5 years ago1