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hsiaoyi0504
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awesome-cheminformatics
A curated list of Cheminformatics libraries and software.
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medchem programming tutorials
#66
JacksonBurns
opened
9 months ago
0
Added Synthical (https://synthical.com)
#65
mixeden
closed
5 months ago
1
add chemprop and dockstring
#64
kevingreenman
closed
5 months ago
1
3DMolMS
#63
hsiaoyi0504
opened
1 year ago
0
JT-VAE
#62
hsiaoyi0504
opened
1 year ago
0
A greeting from Nianzu!
#61
yangnianzu0515
closed
1 year ago
2
olorenchemengine
#60
davidzqhuang
closed
1 year ago
0
Update README.md
#59
Allknowingroger
closed
1 year ago
0
Adding AsciiMol and GlobalChem
#58
Sulstice
closed
2 years ago
1
Updated README.md with CGRtools
#57
tagirshin
closed
2 years ago
1
Add link to awesome-small-molecule-ml
#56
benb111
closed
2 years ago
1
Added ChemicalX and Pytorch Geometric Temporal
#55
benedekrozemberczki
opened
2 years ago
1
Add pdb-tools library.
#54
benb111
closed
2 years ago
1
CDD and ML
#53
hsiaoyi0504
closed
1 year ago
0
Added a new blog
#52
HirahTang
closed
2 years ago
1
Fix typo and add npm distribution of RDKit.js
#51
MichelML
closed
3 years ago
1
Add datamol
#50
hadim
closed
3 years ago
2
Add Summit
#49
marcosfelt
closed
3 years ago
1
Conformer generation
#48
hsiaoyi0504
closed
1 year ago
0
chemml
#47
hsiaoyi0504
closed
3 years ago
1
ss/python-package-addition first pass at adding more resources (my st…
#46
Sulstice
closed
4 years ago
1
Add MolecularGraph.jl
#45
zlatanvasovic
closed
4 years ago
1
pharmit
#44
hsiaoyi0504
opened
4 years ago
0
gypsum_dl
#43
hsiaoyi0504
closed
1 year ago
0
descriptastorus
#42
hsiaoyi0504
closed
3 years ago
1
silicos-it
#41
hsiaoyi0504
closed
1 year ago
1
ambit
#40
hsiaoyi0504
closed
1 year ago
0
RDchiral
#39
hsiaoyi0504
closed
1 year ago
0
pytorch-geometric
#38
hsiaoyi0504
closed
4 years ago
2
py4chinformatics
#37
hsiaoyi0504
closed
4 years ago
0
IS LIFE WORTH LIVING?
#36
hsiaoyi0504
closed
4 years ago
3
ChemRICH
#35
hsiaoyi0504
opened
4 years ago
0
Add one blog information
#34
yamasakih
closed
4 years ago
1
kind pages
#33
hsiaoyi0504
closed
4 years ago
1
chemlabR
#32
hsiaoyi0504
closed
3 years ago
2
Source code of Chemical Translation Service
#31
hsiaoyi0504
closed
1 year ago
0
2019 update version of course of Cheminformatics
#30
hsiaoyi0504
closed
3 years ago
1
add TeachOpenCADD
#29
hsiaoyi0504
closed
5 years ago
1
Add LibText
#28
hsiaoyi0504
closed
5 years ago
1
Add chainer-chemistry
#27
corochann
closed
5 years ago
1
Add many entry for cheminformatics
#26
Birdlet
closed
5 years ago
3
Chemical Property Prediction with Graph Convolutional Networks
#25
hsiaoyi0504
opened
5 years ago
0
message passing neural networks for molecular property prediction.
#24
hsiaoyi0504
opened
5 years ago
0
fix awesome-lint errors
#23
hsiaoyi0504
closed
5 years ago
0
SIMULATION IN CHEMISTRY & BIOCHEMISTRY
#22
hsiaoyi0504
closed
4 years ago
1
tensorMol
#21
hsiaoyi0504
closed
3 years ago
2
ReLeaSE
#20
hsiaoyi0504
opened
5 years ago
1
ChemTS
#19
hsiaoyi0504
opened
5 years ago
0
Paper: Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set
#18
hsiaoyi0504
opened
5 years ago
0
Chembl's blog related to autoencoder
#17
hsiaoyi0504
opened
5 years ago
0
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