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Mar 9, 2020
cadd
Here are 19 public repositories matching this topic...
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Sep 13, 2021 - R
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May 29, 2022 - Jupyter Notebook
solvent thermodynamics in the binding site
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Aug 25, 2022
The one model for genesis of peptide ligands
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Oct 24, 2022
Reference implementation of the Vanishing Ranking Kernels (VRK) method
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Jan 5, 2023 - OCaml
Manon Réau, Bonvin Lab, CSB, UU, CNAM, GBCM, NR-DBIND, CADD, drug design, chemoinformatics, Theranalpha, TNF, Nuclear Receptors, negative data, benchmark
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Jul 3, 2023 - SCSS
Reference implementation of the Distance-Based Boolean Applicability Domain for HTS datasets
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Nov 28, 2023 - OCaml
Computer Aided Drug Design / Komputerowe Wsparcie Projektowania Leków
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Jan 2, 2024 - Python
A short notebook with a similarity based virtual screening example.
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Mar 20, 2024 - Jupyter Notebook
A python package for computer-aid drug design.
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Jul 12, 2024 - Python
Add two complex numbers.
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Jul 17, 2024 - Python
Add two double-precision complex floating-point numbers.
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Aug 4, 2024 - Python
📐 Symmetry-corrected RMSD in Python
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Aug 5, 2024 - Python
Molecular Generation by Fast Assembly of SMILES Fragments
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Aug 22, 2024 - OCaml
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