hsiaoyi0504 awesome-cheminformatics issues

hsiaoyi0504 / awesome-cheminformatics

A curated list of Cheminformatics libraries and software.

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issues

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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