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University of Milano
- Milano, Italy
- http://compsb.unimi.it/
- @carlocamilloni
Stars
SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction
A framework for text-guided protein design
Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design
Codes for our paper "Full-Atom Peptide Design with Geometric Latent Diffusion" (NeurIPS 2024)
C-library for calculating Solvent Accessible Surface Areas
Colab Notebooks covering deep learning tools for biomolecular structure prediction and design
Standardized data set for machine learning of protein structure
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Plugin for folding sequences directly in PyMOL
A Euclidean diffusion model for structure-based drug design.
a package to simulate fluid surfaces and biomembranes
Official repository for the Boltz-1 biomolecular interaction model
Software for the prediction of DEER and PRE data from conformational ensembles.
A trainable PyTorch reproduction of AlphaFold 3.
In silico directed evolution of peptide binders with AlphaFold
The Rosetta Bio-macromolecule modeling package.
Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"
User friendly and accurate binder design pipeline
Chai-1, SOTA model for biomolecular structure prediction
A document for the Living Journal of Computational Molecular Science (LiveCoMS) which describes basic training for molecular simulations (oriented towards molecular dynamics (MD)), providing some t…
Official repository for Target-Specific De Novo Peptide Binder Design with DiffPepBuilder
This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user examples are also available.
Official Repository for the Uni-Mol Series Methods
Analysis framework of dissipation-corrected targeted molecular dynamics (dcTMD) simulations.
Protein structure diffusion model for unconditional protein generation and motif scaffolding
Trainable, memory-efficient, and GPU-friendly PyTorch reproduction of AlphaFold 2