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1. nodes4knime nodes4knime Public

   Forked from cdk/nodes4knime

   KNIMES nodes using the CDK 1.5 library.

   Java 1

2. Cheminformatics-Python Cheminformatics-Python Public

   I developed some cheminformatic scripts in Python using Pandas, SciPy, NumPy, and Scikit-learn to assist in investigating the molecular properties of compounds through multivariate analysis.

   Python 1

3. BrainPepPass BrainPepPass Public

   Forked from ewerton-cristhian/BrainPepPass

   BrainPepPass: A framework based on supervised dimensionality reduction for predicting blood-brain barrier-penetrating peptides.

4. Cheminformatics-KNIME Cheminformatics-KNIME Public

   Several KNIME workflows designed to calculate molecular fingerprints and chemical descriptors of compounds, as well as to analyze Murcko scaffolds and the chemical space of molecules

5. Structural-Bioinformatics Structural-Bioinformatics Public

   Some Python scripts to convert and analyze biological molecular data

   Python

6. ewerton-cristhian/BrainPepPass ewerton-cristhian/BrainPepPass Public

   BrainPepPass: A framework based on supervised dimensionality reduction for predicting blood-brain barrier-penetrating peptides.

   7 1