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1. polizzilab/LASErMPNN polizzilab/LASErMPNN Public

   All-Atom Ligand-Conditioned Protein Sequence Design & Sidechain Packing Model

   Python 6 1

2. polizzilab/NISE polizzilab/NISE Public

   Neural Iterative Selection-Expansion using LASErMPNN and Boltz-1x

   Python 4 3

3. boltz-generalized-covalent-modification boltz-generalized-covalent-modification Public

   Allows using Boltz to predict the structure of arbitrary covalent modifications / Non-Canonical Amino Acids. Covalent bonds are enforced. Also walks you through injecting a new residue into the CCD.

   Jupyter Notebook 5 3

4. calc_symmetry_aware_rmsd.py calc_symmetry_aware_rmsd.py

   1

   import io

   2

   import os

   3

   from pathlib import Path

   4

   from rdkit import Chem

   5

   from rdkit.Chem import AllChem

5. Machine-Learning-Fundamentals Machine-Learning-Fundamentals Public

   A collection of Machine Learning models implemented from math to model in jupyter notebook.

   Jupyter Notebook 2

6. neovim-config neovim-config Public

   Neovim configuration featuring nerdtree, lightline, nerdcomments, autocompletion and snippets, catppuccin colorscheme, and sensible defaults

   Vim Script 1