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Top 5 molecular-structures open source projects
p5-HackaMol
Object-Oriented Perl 5, Moose Library for Molecular Hacking
✭ 12
perl
molecular-structures
modeling
object-oriented
multiscale
coarse-grained
sirius
SIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository contains the code of the SIRIUS Software (GUI and CLI)
✭ 32
java
TeX
javascript
MAXScript
HTML
shell
CSS
science
bioinformatics
cheminformatics
molecular-structures
sirius
metabolomics
mass-spectrometry
ms-data
denovo
molecular-formulas
ms-spectra
structure-elucidation
fragmentation-trees
csi-fingerid
fingerid
isotope-pattern
mass-spectra
react-ngl
React wrapper for ngl
✭ 14
typescript
javascript
Dockerfile
react
webgl
molecular-structures
web-application
molecular-graphics
scientific-visualization
ngl
lightdock
Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm
✭ 110
c
python
bioinformatics
chemistry
structural-biology
molecular-structures
protein-structure
artificial-intelligence
dna
protein
proteomics
docking
peptides
molecular-biology
protein-design
protein-protein-interaction
swarm-intelligence
structural-bioinformatics
protein-dna-interactions
bioinformatics-tool
glowworm-swarm-optimization
protein-docking
GLaDOS
Web Interface for ChEMBL @ EMBL-EBI
✭ 28
javascript
coffeescript
python
HTML
CSS
shell
chemistry
cheminformatics
molecular-structures
webapp
drug-discovery
chemoinformatics
chembl
drug-targets
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5
molecular-structures projects