ebertolazzi / Corso-di-Calcolo-Numerico
Corso di Calcolo Numerico [145970] esercitazioni C++
☆8Updated 11 months ago
Related projects ⓘ
Alternatives and complementary repositories for Corso-di-Calcolo-Numerico
- Package to perform minimum-distance distribution analyses of complex solute-solvent interactions☆15Updated this week
- GraphVAMPnets combines graph neural networks with variational approach for Markovian process (VAMP) theory to identify the slow collectiv…☆11Updated 9 months ago
- MDToolbox.jl: A Julia package for molecular dynamics trajectories analysis and modeling of biomolecules☆20Updated 2 months ago
- Awesome list of scientific resources and links☆11Updated 4 years ago
- Protein ribbon plots implemented in Julia using Makie☆13Updated 2 weeks ago
- A step-by-step tutorial to run Molecular Dynamics Simulations with enhanced sampling of a pepitide using PLUMED implemented in GROMACS to…☆13Updated 8 months ago
- Implementation code for the paper "Aggregating Residue-Level Protein Language Model Embeddings with Optimal Transport"☆12Updated this week
- The GB99dms implicit solvent force field for proteins, plus scripts and data☆19Updated 7 months ago
- A Julia-based framework for molecular modelling☆59Updated 9 months ago
- Examples and data for performing path similarity analysis (PSA).☆16Updated 9 years ago
- This repo contains the collection of codes to find designer interfacial mutations☆16Updated last year
- An efficient approach to RMSD-Based HDBSCAN Clustering of long Molecular Dynamics☆15Updated 2 years ago
- ☆20Updated last year
- OpenSMILES parser in Julia☆27Updated 2 years ago
- ☆8Updated 2 weeks ago
- ☆25Updated last year
- NAMD's psfgen + Python improvements☆13Updated 2 months ago
- Python Tools for NAMD☆19Updated last year
- ☆10Updated 2 weeks ago
- A Julia package to view macromolecular structures in the REPL, in a Jupyter notebook/JupyterLab or in Pluto☆34Updated this week
- Deep Boosted Molecular Dynamics☆11Updated 2 months ago
- Julia bindings to chemfiles☆37Updated this week
- Implementation of the TintiNet architecture for Julia☆16Updated 8 months ago
- a toolbox for the manipulation, modelling and analysis of molecular structures☆24Updated 3 weeks ago
- Modern and fast molecular analysis and modeling library for C++ and Python☆35Updated 5 months ago
- An Interface-Predicting Language Model for Designing Peptide-Guided Protein Degraders☆16Updated 2 months ago
- Transferable Double Exponential non-bonded potential for condensed phase simulations of small molecules☆21Updated 3 months ago
- This is the official code repository for the paper Kermut: Composite kernel regression for protein variant effects.☆12Updated 4 months ago
- PACKMAN: PACKing and Motion ANalysis☆33Updated 4 months ago
- NonEquilibrium Reaction-Diffusion Self-assembly Simulator☆13Updated this week