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cheminfo
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pubchem
MIT License
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chore(main): release 1.3.0
#59
cheminfo-bot
closed
7 months ago
1
chore(main): release 1.2.0
#58
cheminfo-bot
closed
7 months ago
1
chore: improve H and P statements
#57
RicardoSilvestr
closed
7 months ago
1
chore(main): release 1.1.0
#56
cheminfo-bot
closed
1 year ago
1
chore(main): release 1.0.0
#55
cheminfo-bot
closed
1 year ago
2
chore(main): release 0.11.0
#54
cheminfo-bot
closed
1 year ago
1
chore(main): release 0.10.1
#53
cheminfo-bot
closed
1 year ago
1
Typescript migration
#52
wadjih-bencheikh18
closed
1 year ago
1
chore(main): release 0.10.0
#51
cheminfo-bot
closed
1 year ago
2
chore(main): release 0.9.3
#50
cheminfo-bot
closed
2 years ago
2
chore(main): release 0.9.2
#49
cheminfo-bot
closed
2 years ago
1
chore(main): release 0.9.1
#48
cheminfo-bot
closed
2 years ago
1
chore: update code to have tsc from jsdoc
#47
lpatiny
closed
2 years ago
3
API Documentation in the README returning 404
#46
Klairm
opened
2 years ago
1
chore: release 0.9.0
#45
cheminfo-bot
closed
3 years ago
2
feat: reformat identifier result
#44
kjappelbaum
closed
3 years ago
0
chore: release 0.8.0
#43
cheminfo-bot
closed
3 years ago
2
feat: identifier summary
#42
kjappelbaum
closed
3 years ago
2
chore: release 0.7.0
#41
cheminfo-bot
closed
3 years ago
2
feat: get identifiers
#40
kjappelbaum
closed
3 years ago
2
implement routes to get formula and other basic properties from InCHIKey
#39
kjappelbaum
closed
3 years ago
0
fix: throw error in case SMILES is not found
#38
kjappelbaum
closed
3 years ago
1
COOOOOOOOOOC failing (SMILES not found on github)
#37
kjappelbaum
closed
3 years ago
0
chore: release 0.6.0
#36
cheminfo-bot
closed
3 years ago
2
feat: add inchikey lookup
#35
kjappelbaum
closed
3 years ago
1
chore: release 0.5.0
#34
cheminfo-bot
closed
3 years ago
2
feat: get description from pubchem instead of hard coding
#33
kjappelbaum
closed
3 years ago
1
chore: added description for computed properties
#32
kjappelbaum
closed
3 years ago
1
add description and more useful names for properties
#31
kjappelbaum
closed
3 years ago
1
chore: release 0.4.1
#30
cheminfo-bot
closed
3 years ago
2
fix: Fail gracefully
#29
kjappelbaum
closed
3 years ago
1
chore: release 0.4.0
#28
cheminfo-bot
closed
3 years ago
0
chore: release 0.3.2
#27
cheminfo-bot
closed
3 years ago
1
chore: release 0.3.1
#26
cheminfo-bot
closed
3 years ago
0
chore: release 0.3.0
#25
cheminfo-bot
closed
3 years ago
1
LCSS from pubchem
#24
lpatiny
closed
3 years ago
3
how do we deal with physical properties
#23
kjappelbaum
closed
3 years ago
1
tempC vs. degC
#22
kjappelbaum
closed
3 years ago
1
ES6 pubchem with commonJS modules
#21
mikemaster98
closed
3 years ago
1
getGHS crash for OCCO (ethylene glycol)
#20
lpatiny
closed
3 years ago
0
[WIP] chore: refactoring
#19
kjappelbaum
closed
3 years ago
2
GHS statements as array of object
#18
lpatiny
closed
3 years ago
0
Split predicted info and experimental data
#17
lpatiny
closed
3 years ago
1
chore: release 0.2.0
#16
cheminfo-bot
closed
3 years ago
1
Add some method to get a summary of all properties
#15
kjappelbaum
closed
3 years ago
3
feat: get methods for the compound properties in compoundData
#14
kjappelbaum
closed
3 years ago
2
test aggregation of experimental data with more complex test cases
#13
kjappelbaum
closed
3 years ago
0
dealing with experimental data that we cannot parse
#12
kjappelbaum
closed
3 years ago
0
[WIP] feat: adding experimental properties
#11
kjappelbaum
closed
3 years ago
1
Adding GHS information
#10
kjappelbaum
closed
3 years ago
4
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