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Name: Sam
Type: User
Bio: Cheminformatician currently working for Lhasa Limited (content here unaffiliated).
Location: Leeds, UK
Sam's Projects
atommap
bayonet
Probabilistic inference utils
caffo-coursera
A repository of my Coursera latex code and notes
depict
SMILES Depiction Generator
docker-db-backup
Docker Backup various DB Services with customizable options based on Alpine
docker-test-openldap
Docker OpenLDAP Server for testing LDAP applications
jna-inchi
Wrapper to access InChI from Java
knime-plotly
Plotly integration into KNIME
knime-product
knime-rdkit
The RDKit nodes for the KNIME Analytics Platform
knime_slack
Slack nodes for KNIME
ng2-cytoscape
nodes4knime
KNIMES nodes using the CDK library.
nodes4knime-cdk2
KNIMES nodes using the CDK library.
pi-ds18b20-web-monitor
Provides a web / REST interface to interacting with DS18B20 sensors setup on a Raspberry Pi / Pi Zero
pyslurm
Python Interface to Slurm
rdchiral
Wrapper for RDKit's RunReactants to improve stereochemistry handling
reactioncode
reactiondecoder
Reaction Decoder Tool (RDT) - Atom Atom Mapping Tool
retaliation
A Jenkins "Extreme Feedback" Contraption - fire foam rockets at build breaking perpetrators.
retrotemp
Retrosynthesis by template prediction (a la Segler and Waller)
scout_realtime
Realtime server metrics in your browser
spring-boot-permgen-issue
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