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manufac-analytics
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inchi
InChI for NodeJS/TypeScript
https://manufac-analytics.github.io/inchi/
MIT License
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Add test cases
#56
saikat-samanta
closed
1 year ago
0
🧪 Add test cases.
#55
saikat-samanta
opened
2 years ago
0
Fix: Getting empty atom array in GetStructFromXYZ functions
#54
saikat-samanta
closed
2 years ago
0
port GetINCHI function through api.ts
#53
qur786
closed
1 year ago
2
Successfully build the source code
#52
maneetgoyal
closed
3 years ago
2
InChI vs smiles updated and hyperlinks added
#51
koustavpan
closed
3 years ago
0
Answer SMILES v/s INCHI question
#50
maneetgoyal
closed
3 years ago
0
Answer "What does **Line Notation** refer to in the field Cheminformatics?"
#49
koustavpan
closed
3 years ago
2
Update README.md
#48
MBhavishya
closed
3 years ago
1
Answer InChI related question given in README
#47
maneetgoyal
closed
3 years ago
0
Update the text in README regarding Line Notation
#46
maneetgoyal
closed
3 years ago
0
Add ffi test cases
#45
qur786
closed
3 years ago
6
Add more unit tests for `api.ts` functions
#44
maneetgoyal
opened
3 years ago
0
Getting empty atom array in GetStructFromXYZ functions
#43
maneetgoyal
opened
3 years ago
0
Port Generation of INCHI from structure
#42
qur786
closed
3 years ago
0
Test and have better error handling in server.ts functions
#41
maneetgoyal
closed
3 years ago
7
serve api functions
#40
qur786
closed
3 years ago
1
minor refactor to Api comments
#39
qur786
closed
3 years ago
0
modify type definition in headers.ts
#38
qur786
closed
3 years ago
7
Modify type definition in headers.ts
#37
qur786
closed
3 years ago
0
Add JSdoc comments for api wrapped functions
#36
qur786
closed
3 years ago
0
Port "Molecule Objects" functions
#35
maneetgoyal
opened
3 years ago
1
Add interface comments
#34
qur786
closed
3 years ago
1
Dereference Object Properly
#33
qur786
closed
3 years ago
0
docs: Add JSDoc to INCHIAtom
#32
maneetgoyal
closed
3 years ago
1
add test for hyphen at the end of inchi string
#31
qur786
closed
3 years ago
0
Dereference object properly
#30
qur786
closed
3 years ago
0
docs: add comment for github action error
#29
qur786
closed
3 years ago
0
Make CI Green
#28
qur786
closed
3 years ago
0
Add JSDoc comments for all api.ts functions to showcase their example usage
#27
maneetgoyal
closed
3 years ago
0
Expose all functions in api.ts via server.ts also
#26
maneetgoyal
closed
3 years ago
0
Port "Generation of InChI from structure" via api.ts
#25
maneetgoyal
opened
3 years ago
5
Dereference objects properly
#24
maneetgoyal
closed
3 years ago
12
Qur786/#20 add typedoc routine
#23
qur786
closed
3 years ago
2
Port Inchi Functions Phase 2
#22
qur786
closed
3 years ago
0
Deploy TypeDoc docs as Github Pages
#21
maneetgoyal
closed
3 years ago
1
Add Typedoc routine
#20
maneetgoyal
closed
3 years ago
0
feat: added wrapper function for GetStructFromInchI function
#19
qur786
closed
3 years ago
5
Update README.md
#18
qur786
closed
3 years ago
0
Port some InChI functions
#17
maneetgoyal
closed
3 years ago
5
feat : migrated five inchi functions
#16
qur786
closed
3 years ago
1
Make CI green
#15
maneetgoyal
closed
3 years ago
2
Port all test cases to Jest tests
#14
saikat-samanta
closed
3 years ago
5
Port all test cases to Jest tests
#13
maneetgoyal
closed
3 years ago
4
Testcase for INCHIGEN_DATA structure
#12
SSaiPrasad7
opened
3 years ago
0
headers.ts tests
#11
SSaiPrasad7
closed
3 years ago
1
Conditional statement inside NORM_ATOM structure
#10
SSaiPrasad7
opened
3 years ago
0
Instantiate different type strucs
#9
maneetgoyal
closed
3 years ago
3
Port InCHI functions
#8
maneetgoyal
opened
3 years ago
9
dll interface
#7
SSaiPrasad7
closed
3 years ago
0
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