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victor-gil-sepulveda
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pyRMSD
pyRMSD is a small Python package that aims to offer an integrative and efficient way of performing RMSD calculations of large sets of structures. It is specially tuned to do fast collective RMSD calculations, as pairwise RMSD matrices.
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New PyPI release?
#18
benmwebb
opened
3 years ago
1
Update README.md
#17
ekiefl
opened
4 years ago
0
With path to cuda correctly specified in build_conf/default.conf I get "sh: 1: nvcc: not found"
#16
pgoetz
opened
4 years ago
1
Fix off-by-one error
#15
benmwebb
opened
5 years ago
0
Add Python 3 support
#14
benmwebb
opened
5 years ago
3
Feature request : Getting the symmetry group that minimizes RMSD
#13
shruthivis
opened
6 years ago
0
python3?
#12
npolizzi
opened
6 years ago
2
Retrieve the rotation_matrix and translation vector
#11
daniel-adriano
opened
7 years ago
2
Fix headings in README.md
#10
mpharrigan
opened
7 years ago
0
GPL License
#9
RasmusFonseca
opened
7 years ago
1
CondensedMatrix problem
#8
victor-gil-sepulveda
opened
11 years ago
0
Fails to compile with clang under macos 10.8 because clang does not support OpenMP
#7
romansloutsky
opened
11 years ago
0
Adding pickle options to CondensedMatrix
#6
victor-gil-sepulveda
opened
11 years ago
0
build.py --cuda when python2.x is not installed in the default places
#5
TruHuynh
opened
11 years ago
1
parallel installation for multiple version of CUDA/python?
#4
TruHuynh
opened
11 years ago
0
Test Michal Jamroz' suggestions
#3
victor-gil-sepulveda
opened
11 years ago
0
implement matrixOneVsFollowing* to improve performance
#2
victor-gil-sepulveda
opened
11 years ago
0
setup.py is outdated
#1
victor-gil-sepulveda
closed
11 years ago
0