Ecosyste.ms: Packages
An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.
proxy.golang.org "cheminformatics" keyword
Top 9.6% on proxy.golang.org
6 versions - Latest release: over 1 year ago - 656 stars on GitHub
github.com/awslabs/dgl-lifesci v0.3.2
Python package for graph neural networks in chemistry and biology6 versions - Latest release: over 1 year ago - 656 stars on GitHub
Top 9.6% on proxy.golang.org
26 versions - Latest release: 2 months ago - 177 stars on GitHub
github.com/mojaie/moleculargraph.jl v0.16.1
Graph-based molecule modeling toolkit for cheminformatics26 versions - Latest release: 2 months ago - 177 stars on GitHub
Top 9.6% on proxy.golang.org
26 versions - Latest release: 2 months ago - 177 stars on GitHub
github.com/mojaie/MolecularGraph.jl v0.16.1
Graph-based molecule modeling toolkit for cheminformatics26 versions - Latest release: 2 months ago - 177 stars on GitHub
Top 9.6% on proxy.golang.org
10 versions - Latest release: about 6 years ago - 140 stars on GitHub
github.com/mcs07/molvs v0.1.1
Molecule Validation and Standardization10 versions - Latest release: about 6 years ago - 140 stars on GitHub
Top 4.2% on proxy.golang.org
40 versions - Latest release: over 2 years ago - 1 dependent package - 2 dependent repositories - 984 stars on GitHub
github.com/scipipe/scipipe v0.12.0
Package scipipe is a library for writing scientific workflows (sometimes also called "pipelines")...40 versions - Latest release: over 2 years ago - 1 dependent package - 2 dependent repositories - 984 stars on GitHub
Top 9.6% on proxy.golang.org
10 versions - Latest release: about 6 years ago - 140 stars on GitHub
github.com/mcs07/MolVS v0.1.1
Molecule Validation and Standardization10 versions - Latest release: about 6 years ago - 140 stars on GitHub
Top 8.2% on proxy.golang.org
1 version - Latest release: almost 4 years ago - 3 stars on GitHub
github.com/edualb/godmitri v0.0.0
This project provides utilities for chemistry. The name of the project was inspired by periodic t...1 version - Latest release: almost 4 years ago - 3 stars on GitHub
Top 9.6% on proxy.golang.org
8 versions - Latest release: 2 months ago - 69 stars on GitHub
github.com/PrincetonUniversity/auto-qchem v1.3.7
Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organi...8 versions - Latest release: 2 months ago - 69 stars on GitHub
Top 9.6% on proxy.golang.org
8 versions - Latest release: 2 months ago - 70 stars on GitHub
github.com/princetonuniversity/auto-qchem v1.3.7
Auto-QChem is an automated workflow for the generation and storage of DFT calculations for organi...8 versions - Latest release: 2 months ago - 70 stars on GitHub
Related Keywords
chemistry
5
bioinformatics
3
molecule
3
dft-calculations
2
validation
2
standardization
2
rdkit
2
python
2
toolkit
2
molecular-modeling
2
mcs
2
julia-language
2
julia
2
graph
2
deep-learning
1
scientific
1
library
1
golang
1
code4lib
1
workflow-engine
1
workflow
1
scipipe
1
scientific-workflows
1
pipeline
1
go
1
fbp
1
dataflow
1
bioinformatics-pipeline
1
dgl
1
drug-discovery
1
geometric-deep-learning
1
graph-neural-networks
1