Autodesk molecular-design-toolkit issues

Autodesk / molecular-design-toolkit

Notebook-integrated tools for molecular simulation and visualization

http://moldesign.bionano.autodesk.com

Apache License 2.0

165 stars 37 forks source link

issues

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Newest Most commented Recently updated Oldest Least commented Least recently updated

Codes about Molecular Visualization

#190 taipinghu opened 4 years ago
0
Error installing with pip

#189 pnave95 opened 6 years ago
3
Protein Surface Visualization

#188 lenhsherr opened 6 years ago
0
Publishing fixes

#187 avirshup closed 6 years ago
0
Simplify and speed up build

#186 avirshup closed 6 years ago
0
Error building in mybinder

#185 psychemedia opened 6 years ago
4
Build refinements

#184 avirshup closed 6 years ago
0
Fix bug in chain detection

#183 avirshup closed 6 years ago
0
Reduce the size of the test data files

#182 avirshup closed 6 years ago
0
Handle mmCIF fields with single entries

#181 avirshup closed 6 years ago
0
Build model

#180 ktbolt opened 7 years ago
0
RC5 UI updates

#179 avirshup closed 7 years ago
0
Mutate bonds

#178 ktbolt closed 7 years ago
2
RC 5

#177 avirshup closed 7 years ago
1
Conda build

#176 ktbolt closed 7 years ago
6
v0.8 deployment fixes

#175 avirshup closed 7 years ago
0
Configuration update

#174 avirshup closed 7 years ago
0
Add atom container `align` and `rmsd` methods (Zube 2914).

#173 ktbolt opened 7 years ago
1
Updates and fixes for visualization

#172 avirshup closed 7 years ago
0
Vizfixes

#171 avirshup closed 7 years ago
0
Psi 4 integration

#170 obrien951 opened 7 years ago
5
Copyable wavefunctions and properties

#169 avirshup closed 7 years ago
0
Topology management

#168 avirshup closed 7 years ago
0
Pure-python orbital grids

#167 avirshup closed 7 years ago
0
Polishing

#166 avirshup closed 7 years ago
0
Deploy 0.8.0beta2

#165 avirshup closed 7 years ago
0
Error creating new molecule

#164 avirshup opened 7 years ago
0
IOErrors become OSErrors in Python 3

#163 avirshup opened 7 years ago
0
Continuous deployment

#162 avirshup closed 7 years ago
5
Test coverage and bug fixes

#161 avirshup closed 7 years ago
1
Deploy0.8beta

#160 avirshup closed 7 years ago
0
Better interface compatibility with `concurrent.futures`

#159 avirshup opened 7 years ago
0
Fixes for minimal env

#158 avirshup closed 7 years ago
1
versioneer causes extraneous output in some docker containers

#157 avirshup opened 7 years ago
0
Fix energy model instantiation

#156 avirshup closed 7 years ago
0
RuntimeError in python 2 - instantiating EnergyModels

#155 avirshup closed 7 years ago
0
QM/MM

#154 avirshup opened 7 years ago
0
Psi4 Integration

#153 avirshup closed 7 years ago
1
Cleanup from py3 merge

#152 avirshup closed 7 years ago
0
Molecule Visualization Error

#151 obrien951 opened 7 years ago
1
Python 3 for reals

#150 avirshup closed 7 years ago
1
Forcefield objects

#149 avirshup closed 7 years ago
0
Get coveralls running

#148 avirshup closed 7 years ago
0
Forcefield objects

#147 avirshup closed 7 years ago
1
Don't run minimal environment tests, except in main branches

#146 avirshup closed 7 years ago
0
Dev merge to master

#145 avirshup closed 7 years ago
0
Update version-pinned dependencies

#144 avirshup opened 7 years ago
0
Backend cleanup

#143 avirshup closed 7 years ago
0
Live topology editing

#142 avirshup closed 7 years ago
1
Test and deploy

#141 avirshup closed 7 years ago
0