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InnocentBug
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G-BigSMILES
Generator of SMILES string from bigSMILES with extension
GNU General Public License v3.0
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Problems in anaconda and spyder in windows
#59
ErrorCode331
opened
4 days ago
4
More si ex
#58
InnocentBug
closed
1 month ago
1
Upating Notebooks to include different types of Graphs
#57
InnocentBug
closed
1 month ago
1
lower required python version
#56
InnocentBug
closed
2 months ago
1
Release pypi
#55
InnocentBug
closed
2 months ago
1
Release pypi
#54
InnocentBug
closed
2 months ago
1
Updating README to install with pip
#53
InnocentBug
closed
2 months ago
2
Rename to G-BigSMILES
#52
InnocentBug
closed
2 months ago
2
Graph fixes
#51
InnocentBug
closed
2 months ago
1
Stochastic atom graph, new feature
#50
InnocentBug
closed
7 months ago
2
More elaborate exception for forcefield issues.
#49
InnocentBug
closed
7 months ago
2
Enable the assignment of Forcefiled parameters to generated molecules.
#48
InnocentBug
closed
9 months ago
2
Resname identification and Initial molecule embedding.
#47
InnocentBug
closed
9 months ago
3
Add warning message for non-installed execution of package
#46
InnocentBug
closed
10 months ago
2
minor change to notebook
#45
InnocentBug
closed
10 months ago
2
add new material to SI
#44
InnocentBug
closed
11 months ago
9
Windows support
#43
InnocentBug
closed
11 months ago
1
Trunk upgrade
#42
InnocentBug
closed
1 year ago
3
enable regular testing and coverage
#41
InnocentBug
closed
1 year ago
3
update test structure
#40
InnocentBug
closed
1 year ago
2
Adjusting SI to include examples of Tacticity and recombination.
#39
InnocentBug
closed
1 year ago
2
Smaller fixes to the notebooks.
#38
InnocentBug
closed
1 year ago
1
fix play drawing and hide internal mol
#37
InnocentBug
closed
1 year ago
3
Update SI with more and elaborate examples of polymers
#36
InnocentBug
closed
1 year ago
3
Si
#35
InnocentBug
closed
1 year ago
4
add supporting info notebook
#34
InnocentBug
closed
1 year ago
1
More distr
#33
InnocentBug
closed
1 year ago
1
More distributions, Poisson and LogNormal added
#32
InnocentBug
closed
1 year ago
1
Formalize graph dot
#31
InnocentBug
closed
1 year ago
3
Reaction control of left terminal bond descriptors.
#30
InnocentBug
closed
1 year ago
0
Convert bigSMILES string into a graph that allows generation of molecule
#29
InnocentBug
closed
1 year ago
3
Add Schulz-Zimm Distribution.
#28
InnocentBug
closed
1 year ago
3
Fix minor
#27
InnocentBug
closed
1 year ago
2
fix preceding character extend
#26
InnocentBug
closed
1 year ago
2
Probability estimation of molecules to bigSMILES
#25
InnocentBug
closed
1 year ago
2
update trunk org
#24
InnocentBug
closed
1 year ago
2
Automatically build residue graph
#23
InnocentBug
closed
1 year ago
4
fix how we remember to which atom we bond
#22
InnocentBug
closed
1 year ago
2
Automatically test jupyter notebook
#21
InnocentBug
closed
1 year ago
6
allow incomplete mixture to generate
#20
InnocentBug
closed
1 year ago
2
Change `System` to be able to generate single molecules and the whole sequence
#19
InnocentBug
closed
1 year ago
6
Doc
#18
InnocentBug
closed
1 year ago
3
Documentation via README
#17
InnocentBug
closed
1 year ago
2
Fix the interpretation of terminal bond descriptors.
#16
InnocentBug
closed
1 year ago
3
add test to include direct stochastic connection
#15
InnocentBug
closed
1 year ago
2
One more test.
#14
InnocentBug
closed
1 year ago
0
Reorganize and generate via RDKIT
#13
InnocentBug
closed
1 year ago
2
Test
#12
InnocentBug
closed
1 year ago
6
test wild
#11
InnocentBug
closed
1 year ago
4
new merge API
#10
InnocentBug
closed
2 years ago
15
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