adaptive-sampling
Contents:
Introduction
Installation
Basic usage
Sampling tools
Collective Variables (CVs)
Exploration tools
Processing tools
Tutorials
Compute the alanine dipeptide [
\(\Phi,\Psi\)
] transition using OpenMM and OPES-eABF
Compute the alanine dipeptide [
\(\Phi,\Psi\)
] transition using OpenMM and OPES
Code Documentation
Scientific articles using the
adaptive_sampling
package
adaptive-sampling
Tutorials
View page source
Tutorials
Jupyter Notebooks:
Compute the alanine dipeptide [
\(\Phi,\Psi\)
] transition using OpenMM and OPES-eABF
Importance sampling of the [
\(\Phi,\Psi\)
] plane with OPES-eABF
Analysis of Results
Compute the alanine dipeptide [
\(\Phi,\Psi\)
] transition using OpenMM and OPES
Importance sampling of the [
\(\Phi,\Psi\)
] plane with OPES
Analysis of Results