bbyun28's repositories
panel-chemistry
🧪📈 🐍. The purpose of the panel-chemistry project is to make it really easy for you to do DATA ANALYSIS and build powerful DATA AND VIZ APPLICATIONS within the domain of Chemistry using using Python and HoloViz Panel.
awesome-python-chemistry
A curated list of Python packages related to chemistry
chembl-downloader
Write reproducible code for getting and processing ChEMBL
ChemPlot
A python package for chemical space visualization.
chemtools
A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.
cime
cime public repository
dsub
Open-source command-line tool to run batch computing tasks and workflows on backend services such as Google Cloud.
ggsashimi
Command-line tool for the visualization of splicing events across multiple samples
kissim
Subpocket-based fingerprint for kinase pocket comparison
kissim_app
Kinome-wide structural pocket similarity
LEADD
Lamarckian Evolutionary Algorithm for de novo Drug Design
MDPOW
Calculation of water/solvent partition coefficients with Gromacs.
molecule-sanitizer
Sanitize It Yourself
MolScore
An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular design
PubChemPy
Python wrapper for the PubChem PUG REST API.
pyscreener
pythonic interface to virtual screening software
torchdrug
A powerful and flexible machine learning platform for drug discovery
useful_rdkit_utils
Some useful RDKit functions
Vina-GPU
A heterogeneous OpenCL implementation of AutoDock Vina
workshop-RNAseq
Workshop • Analysis of RNA-seq data