Adaptive-sampling

Latest version: v3.0.1

Safety actively analyzes 623616 Python packages for vulnerabilities to keep your Python projects secure.

Scan your dependencies

3.0.1

**New Features**:
* Adaptive path CVs
* Free energy NEB
* Various bug fixes

**Full Changelog**: https://github.com/ochsenfeld-lab/adaptive_sampling/compare/v3.0.0...v3.0.1

2.0.3

Bugfix for import of interface

2.0.0

New features:
* Shared-Bias Multiple Walker free energy calculations
* RMSD as Collective Variable
* Various bugfixes

1.0.0

First stable release of adaptive_sampling
Contains:
* Sampling tools: ABF, MtD, eABF, WTM-eABF, GaMD, GaWTM-eABF
* Processing tools: Thermodynamic integration, CZAR, MBAR, GaMD
* Collective variables: distance, angle, torsion, linear_combination
* Interface for MD on 2D potentials

**Full Changelog**: https://github.com/ochsenfeld-lab/adaptive_sampling/commits/v1.0.0

Links

Releases

Has known vulnerabilities

© 2024 Safety CLI Cybersecurity Inc. All Rights Reserved.