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Dannnno
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Chemistry
Simulation of organic chemistry reactions has been moved here
https://github.com/PyCAOS/CAOS
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Ongoing development work
#34
Dannnno
opened
9 years ago
1
Auto-complete
#33
Dannnno
opened
9 years ago
0
Bond lengths
#32
Dannnno
opened
9 years ago
0
Valence
#31
Dannnno
closed
9 years ago
1
Bad getattr in Atom
#30
Dannnno
closed
9 years ago
1
Connect to databases
#29
Dannnno
opened
9 years ago
0
Naming molecules
#28
Dannnno
opened
9 years ago
0
Add a Gitter chat badge to README.md
#27
gitter-badger
closed
9 years ago
1
pKa and other hard to compute chemical data
#26
Dannnno
opened
9 years ago
1
More scientific representation of bonds/atoms
#25
Dannnno
closed
9 years ago
1
GUI
#24
Dannnno
closed
9 years ago
0
Cleaner periodic table
#23
Dannnno
closed
9 years ago
0
Make this an effective teaching tool
#22
Dannnno
closed
9 years ago
1
Lewis vs Bronsted-Lowry
#21
Dannnno
opened
9 years ago
0
Acid base
#20
Dannnno
closed
9 years ago
0
Acid base
#19
Dannnno
closed
9 years ago
0
SMILES strings
#18
Dannnno
closed
9 years ago
2
Mol files
#17
Dannnno
closed
9 years ago
1
CML/XML/JSON
#16
Dannnno
closed
9 years ago
1
Chirality and isomorphisms
#15
Dannnno
opened
9 years ago
0
File parsing needs to be lenient, sort of
#14
Dannnno
closed
9 years ago
1
Subgraph identification
#13
Dannnno
opened
9 years ago
0
More file types
#12
Dannnno
closed
9 years ago
3
__eq__ is hard
#11
Dannnno
closed
9 years ago
3
Graphing 3
#10
Dannnno
closed
9 years ago
0
Make sure all 'private' helper methods are prefixed by `_`
#9
Dannnno
closed
9 years ago
1
CML improvements
#8
Dannnno
closed
9 years ago
0
Better graphing
#7
Dannnno
closed
9 years ago
0
Integrate doctests
#6
Dannnno
closed
9 years ago
1
Use itertools
#5
Dannnno
closed
9 years ago
1
Add Element.bondedto attribute
#4
Dannnno
closed
9 years ago
1
pka table is very incomplete
#3
Dannnno
closed
9 years ago
1
Atomic/molecular charge
#2
Dannnno
closed
9 years ago
1
Not all pka groups are properly identified by the get_pka() function
#1
Dannnno
closed
9 years ago
1