Taller de docking molecular y dinámica molecular

A Jupyter notebook designed to solve the time-independent Schrödinger equation for vibrational energies and wavefunctions of (molecular) potential energy curves (PECs).

Creation of webhooks microservices in Molecular and backend using Express

Derivative of the PoSym project. The goal is to optimise and keep the core functionality.

Structural Analysis of MSLD Trajectories

👩🏻‍🔬 Implementation of the molecular programming language CRN++

Python code to estimate number of tumor cells and amount DNA, compensated for Tumor Induced Stroma

SIMOLANT, educational 2D molecular dynamics and Monte Carlo app

🧬 Use molecules as building blocks to create automated systems that operate at the nanoscale.

a sample microservice with molecular using nodejs

JSMarvinSketch in browser

A simple Python script using Biopython to convert FASTA files to GenBank format. The script prompts the user for input and output filenames, along with the molecule type (default is DNA). Ensure accurate and annotated GenBank files for your biological sequence data.

A collection of reusable atomic and molecular components that can be easily integrated into any React-based project

A simple molecular dynamics Lennard Jones code written in golang

Code used in the paper "MiOS, an integrated imaging and computational strategy to model gene folding with nucleosome resolution".

MD simulation of C6H6 (benzene) and N2 (nitrogen), by hand.

free classical molecular modeling and dynamics package

velocity measurement in slit pores (pore heigh is in y direction),

exploring molecularjs.