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1. RamaNet RamaNet Public

   Forked from sarisabban/RamaNet

   Preforms De novo protein design using machine learning and PyRosetta to generate a novel protein structure

   Python

2. fpembed fpembed Public

   FPembed - Generalized Molecular Fingerprint Embeddings

   Python 1

3. pk_spectroscopy pk_spectroscopy Public

   App for pK spectroscopy (simple yet advanced analysis of materials of the complex acidic nature using results of the potentiometric titration).

   Python

4. stoned-selfies stoned-selfies Public

   Forked from dwillhelm/stoned-selfies

   This repository contains code for the paper: Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discovery (STONED) Algorithm for Molecules using SELFIES

   Jupyter Notebook

5. padel_robust padel_robust Public

   PaDEL-robust: A robust version of Python wrapper for PaDEL-Descriptor software

   Python

6. awesome-drug-discovery awesome-drug-discovery Public

   Forked from yboulaamane/awesome-drug-discovery

   A meticulously curated resource list focused on computational methods for drug discovery.