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User friendly and accurate binder design pipeline
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…
Zotero plugin to automatically move attachments and link them
Python interactive dashboards for learning data science
camillacaprai / AlloViz
Forked from frannerin/AlloVizA Python package to interactively compute, analyze and visualize protein allosteric communication (residue interaction) networks and delta-networks.
Set of tools to generate a multi-eGO force field to perform molecular dynamics simulations
Analysis framework of dissipation-corrected targeted molecular dynamics (dcTMD) simulations.
Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes
AntonioMirarchi / torchmd-net
Forked from torchmd/torchmd-netNeural network potentials based on graph neural networks and equivariant transformers
A Progressive Web App for local file sharing
Consensus sequences for each Pango lineage
Plot spike differences among SARS-CoV-2 Pango clades
A tiling window manager for macOS based on binary space partitioning
Input files for the protein-ligand benchmark performed with the Alchemical Transfer Method (ATM)
Programmi pubblicati da MC microcomputer
This repository includes the slides and the practicals for the course of Structural Bioinformatics of the MBB/QB degrees at the University of Milano, originally inspired by https://github.com/pb3la…
Prediction of protein melting temperatures directly from sequences
Stand Alone version of ConSurf with detailed tutorial - (installation + database + usage)
Gypsum-DL is a free, open-source program that converts 1D and 2D small-molecule representations (SMILES strings or flat SDF files) into 3D models. It outputs models with alternate ionization, tauto…