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stsouko
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CGRtools
CGRs, molecules and reactions manipulation
GNU Lesser General Public License v3.0
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Bump @babel/traverse from 7.12.13 to 7.23.2 in /clean2d
#203
dependabot[bot]
opened
10 months ago
0
Bump minimist from 1.2.5 to 1.2.8 in /clean2d
#202
dependabot[bot]
opened
11 months ago
0
Bump json5 from 1.0.1 to 1.0.2 in /clean2d
#201
dependabot[bot]
opened
11 months ago
0
Bump webpack from 5.22.0 to 5.76.0 in /clean2d
#200
dependabot[bot]
opened
11 months ago
0
Bump loader-utils from 1.4.0 to 1.4.2 in /clean2d
#199
dependabot[bot]
opened
11 months ago
0
Calculation of Molecular Descriptors
#198
KhuzaimahAziz
closed
2 years ago
2
[Errno 2] No such file or directory: 'molecules.dat'
#197
KhuzaimahAziz
closed
2 years ago
3
Bump browserslist from 4.16.3 to 4.16.7 in /clean2d
#196
dependabot[bot]
closed
3 years ago
0
Bump path-parse from 1.0.6 to 1.0.7 in /clean2d
#195
dependabot[bot]
closed
3 years ago
0
canonic charge
#194
stsouko
closed
3 years ago
0
standardize total refactoring
#193
stsouko
closed
3 years ago
0
Errors in pytest (no module lazy_object_proxy)
#192
aigulkhkmv
closed
3 years ago
1
optimization to unpack
#191
stsouko
closed
3 years ago
0
Cython unpack
#190
stsouko
closed
3 years ago
0
molecule package
#189
stsouko
closed
3 years ago
0
Canonic charge rules
#188
stsouko
closed
3 years ago
0
heterocycles canonic charge
#187
stsouko
closed
3 years ago
0
fixed bad structures.
#186
stsouko
closed
3 years ago
0
AnyMetal query atom added.
#185
stsouko
closed
3 years ago
0
rules for 5-6, 5-5 cycles witn 'N' and for imidazoles and pyrazoles w…
#184
zandmitrij
closed
3 years ago
0
CGR decomposition
#183
Arty40m
closed
3 years ago
1
xyz parser
#182
stsouko
closed
3 years ago
0
depict refactored.
#181
stsouko
closed
3 years ago
0
stereo axises refactoring
#180
stsouko
closed
3 years ago
0
Frrocene rules
#179
zandmitrij
closed
3 years ago
0
Tautomers update
#178
stsouko
closed
3 years ago
0
is_dynamic property to atom and dynamic bond
#177
TimurGimadiev
closed
3 years ago
0
Bump browserslist from 4.16.3 to 4.16.6 in /clean2d
#176
dependabot[bot]
closed
3 years ago
0
ferrocene standardize
#175
stsouko
closed
3 years ago
0
SSSR for ferrocene
#174
stsouko
closed
3 years ago
1
SMILESRead failing to return most SMILES
#173
JHucker
closed
3 years ago
2
Query isomorphism unexepected behaviour
#172
tagirshin
closed
3 years ago
2
Canonical tautomer definition
#171
JHucker
closed
3 years ago
2
Bump lodash from 4.17.20 to 4.17.21 in /clean2d
#170
dependabot[bot]
closed
3 years ago
0
Scaffold and/or framework extraction
#169
tagirshin
closed
2 years ago
6
reactor refactored.
#168
stsouko
closed
3 years ago
0
placing a empty list before the loop
#167
zarinaIbr
closed
3 years ago
0
updating fix_mapping
#166
zarinaIbr
closed
3 years ago
0
Reactor stereo support
#165
stsouko
closed
3 years ago
0
clean2d changed.
#164
stsouko
closed
3 years ago
0
Add Pyrylium cation to rules for thiele
#163
tagirshin
closed
3 years ago
2
reagents removing protocol
#162
TimurGimadiev
closed
3 years ago
0
add import Bond , fix bond error
#161
neon-monster
closed
3 years ago
0
Divide construction of SMILES and SMILES file reading
#160
tagirshin
closed
3 years ago
2
Output SDF file is invalid and unreadable
#159
Sarif-HK
closed
3 years ago
3
Tau
#158
stsouko
closed
3 years ago
0
Readme correction
#157
tagirshin
closed
3 years ago
0
update sssr
#156
salikhovi4
closed
3 years ago
0
Fix mapp
#155
zarinaIbr
closed
3 years ago
0
Molecule builder
#154
tagirshin
closed
3 years ago
0
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