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e-florez
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amcess
GNU General Public License v3.0
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Configuration AMCESS - ASE (Quantum Express, NWChem)
#19
AndyDanian
opened
1 month ago
0
Module Molecular Box
#18
AndyDanian
opened
1 month ago
0
sphinx issues
#17
AndyDanian
opened
1 month ago
1
Add format input in cluster class
#16
AndyDanian
opened
2 months ago
0
Check: AddMol/Atom, RemoveMol/Atom, ... Methods in Molecule and Cluster class
#15
AndyDanian
closed
1 month ago
1
documentation: Atom, Molecular and Cluster classes with rdkit
#14
AndyDanian
closed
1 month ago
1
Conflicts fix (black, mypy, flake8): Atom, Molecule and Clustter class with rdkit
#13
AndyDanian
opened
2 months ago
1
tests: Atom, Molecule and Cluster class with rdkit
#12
AndyDanian
opened
2 months ago
2
Rdkit
#11
e-florez
closed
3 months ago
0
amcess project structure
#10
e-florez
opened
3 months ago
0
Dependency Management With Python Poetry
#9
e-florez
opened
3 months ago
0
pyproject TOML
#8
e-florez
opened
3 months ago
1
Molecule class (molecule.py) now can read file by mean of Rdkit
#7
AndyDanian
closed
3 months ago
0
Molecule Class can work with Rdkit's smile
#6
AndyDanian
closed
3 months ago
2
upload version on pypi, sln change amcess to amcess2024 in all
#5
AndyDanian
closed
3 months ago
1
Update python3.10 version
#4
e-florez
closed
3 months ago
0
Fixing ci git hub actions
#3
e-florez
closed
1 year ago
0
Merge pull request #1 from e-florez/fixing_CI_GitHub_Actions
#2
e-florez
closed
1 year ago
0
fixing CI on GitHub Actions after migrating from GitLab
#1
e-florez
closed
1 year ago
0