AlexanderDesupervised

AlexanderDesupervised's Stars

• awesome-panel/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.

  Language:Python11916

• awesome-panel/panel-sharing

  A platform for developing and sharing Panel apps online

  Language:HTML6

• wordslab-org/ml-workspace

  🛠 All-in-one web-based IDE specialized for machine learning and data science.

  Language:Jupyter Notebook3

• jvlehtonen/brutenib

  Rather brute optimizer for negative image-based models

  Language:Shell71

• gcorso/DiffDock

  Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking

  Language:Python1.1k257

• cosconatilab/PyRMD

  AI-powered Virtual Screening

  Language:Python7925

• yazdanimehdi/AttentionSiteDTI

  This is The repository for Paper "AttentionSiteDTI: Attention Based Model for Predicting Drug-Target Interaction Using Graph Representation of Ligands and 3D Structure of Protein Binding Sites"

  Language:Python408

• sc8668/RTMScore

  Language:Python8517

• jacquesboitreaud/vina_docking

  Python scripts for molecular docking of molecules vs DUDE protein targets, using Vina

  Language:Python225

• francoep/pKa_activelearning

  Repository for the negative results of small molecule pKa active learning

  Language:Jupyter Notebook83

• NIEHS/OPERA

  Free and open-source application (command line and GUI) providing QSAR models predictions as well as applicability domain and accuracy assessment for physicochemical properties, environmental fate and toxicological endpoints. ==================>Download the latest compiled version from the "releases" tab and run the executable installer.

  Language:MATLAB7020

• Global-Chem/global-chem

  A Knowledge Graph of Common Chemical Names to their Molecular Definition

  Language:Jupyter Notebook15521

• JavadNoroozi/machine_learning_pka

  Python based feed forward artificial neural neteork model for predicting pka of drug-like molecules from chembl database

  Language:Jupyter Notebook32

• PatWalters/solubility

  An implementation of Delaney's ESOL method using the RDKit

  Language:Python5421

• TVect/mol_property

  Prediction of pKa from chemical structure using machine learning approaches，molecular similarity and so on

  Language:Python2210

• Enveloppe/mkdocs-publisher-template

  The template for Obsidian Mkdocs Publisher, a free obsidian publish alternative throught Mkdocs.

  Language:HTML13523

• Enveloppe/obsidian-enveloppe

  Enveloppe helps you to publish your notes on a GitHub repository from your Obsidian Vault, for free!

  Language:TypeScript62939

• muhrin/milad

  Moment Invariants Local Atomic Descriptor

  Language:Jupyter Notebook301

• jacopoantonello/enzpy

  Extended Nijboer-Zernike (ENZ) theory toolbox for Python

  Language:Python3513

• jacopoantonello/zernike

  Python code for Zernike polynomials

  Language:Python13337

• neufieldrobotics/zernike_py

  Python implementation of multi-scale Harris corner detector with zernike feature descriptor as described in "Toward large-area mosaicing for underwater scientific applications".

  Language:Python72

• AlvaroMenduina/ZERN

  Python package for fast evaluation of Zernike polynomials

  Language:Python124