Computational Biology and Chemistry - UFZ, Leipzig, Germany
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deepFPlearn
deepFPlearn PublicLink molecular structures of chemicals (in form of topological fingerprints) with multiple targets
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EcoToxFred
EcoToxFred PublicEcoToxFred, a Neo4j-backed Chatbot with whom you can discuss environmental monitoring data collected in a large knowledge graph and stored in a Neo4j Graph Database. EcoToxFred is a prototype that …
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Repositories
- deepFPlearn Public
Link molecular structures of chemicals (in form of topological fingerprints) with multiple targets
yigbt/deepFPlearn’s past year of commit activity - EcoToxFred Public
EcoToxFred, a Neo4j-backed Chatbot with whom you can discuss environmental monitoring data collected in a large knowledge graph and stored in a Neo4j Graph Database. EcoToxFred is a prototype that demonstrates how domain-specific knowledge can be combined with LLMs to facilitate the interaction between users and (domain-specific) knowledge.
yigbt/EcoToxFred’s past year of commit activity - ChemSimTorch Public
ChemSimTorch is a Python package for efficient computation of chemical similarity using PyTorch tensors, enabling fast and scalable matrix calculations. It currently supports Tanimoto similarity and bond energy difference, with planned additions like Johnson similarity and Rapid Similarity Calculation.
yigbt/ChemSimTorch’s past year of commit activity - scImpNetworks Public
yigbt/scImpNetworks’s past year of commit activity - MOD-Finder Public
MOD-Finder (Multi-Omics Data set Finder) is an easy-to-use tool to efficiently search for compound-related omics data sets.
yigbt/MOD-Finder’s past year of commit activity
