82 dependents
| Package | Description | Downloads/month |
|---|---|---|
| MoleculeKit: Your favorite molecule manipulation kit | 28K | |
| Biomolecular emulator | 6K | |
| Predicting FRET with accessible-contact volumes | 3K | |
| WESTPA is a package for constructing and running stochastic simulations using th... | 3K | |
| MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments | 3K | |
| Scripts for MD Analysis | 2K | |
| A cryo-electron microscopy image simulation library for building data analysis i... | 1K | |
| General purpose simulation builder for protein condenstate systems compatible wi... | 1K | |
| Benchmarking code accompanying the release of `bioemu` | 1K | |
| Simple Gromacs python wrapper | 1K | |
| A genomewide multiscale energy minimization model. | 1K | |
| Python toolkit for the analysis of protein protonation states and residue-level ... | 993 | |
| Predict per-residue Fdewet using SASA + MPNN | 959 | |
| 883 | ||
| The Weir Labs H-bond Systems Analyses modules! | 881 | |
| GlyContact: a Python package for retrieving, processing, and analyzing 3D glycan... | 854 | |
| Construction of intrinsically disordered proteins ensembles through multiscale g... | 849 | |
| Biobb_pytorch is the Biobb module collection to create and train ML & DL models ... | 847 | |
| An open source Python framework for transition interface and path sampling calcu... | 812 | |
| Simulation analysis package for working with disordered proteins | 777 | |
| A software that simulates the dynamics of DNA replication by following a sofisti... | 734 | |
| MD trajectory library | 649 | |
| Analyzes Pi-Stacking in Molecular Dynamics Trajectories | 624 | |
| EXTASY Project - CoCo | 623 | |
| Cryo-EM Ensemble Optimization using JAX and OpenMM for Molecular Dynamics simula... | 621 | |
| Bubble detection for molecular dynamics simulations. | 617 | |
| mdciao: Accessible Analysis and Visualization of Molecular Dynamics Simulation D... | 535 | |
| Best practices made easy for analysis of correlated motions from molecular dynam... | 517 | |
| MD trajectory server | 511 | |
| An energy-based stochastic model of loop extrusion in chromatin. | 492 | |
| RiD package for enhanced sampling | 467 | |
| 451 | ||
| Repository of all relevant scripts and data to generate inputs for the use of Ma... | 450 | |
| clusterize molecular dynamic trajectories (amber, gromacs, charmm, namd, pdb...) | 426 | |
| Software module for DNA structure generation and analysis | 408 | |
| Library and CLI tool for benchmarking ML Interatomic Potentials | 389 | |
| Polymer-Oriented LibrarY of Monomer-Expression Rules and In-silico Synthesis Too... | 348 | |
| Software for automated MD trajectory analysis | 344 | |
| https://pypi.org/project/pmarlo/ | 330 | |
| 325 | ||
| A package to caculate residue-residue contacts from MD trajectories | 310 | |
| Generate coarse-grained molecular dynamics models from atomistic trajectories. | 308 | |
| Synthetic SP micrograph creation and analysis | 271 | |
| drMD: Molecular Dynamics for Protein Scientists | 252 | |
| A package containing similarity measures for life science purposes. The package ... | 236 | |
| Refining Openfold predictions with Crystallographic Likelihood Targets | 229 | |
| IDPEnsembleTools is a Python package designed to facilitate the loading, analysi... | 227 | |
| A Python tool for identifying and mapping water-sites from MD-based HTP mutation... | 206 | |
| Python toolkit for generation and equilibration of complex soft matter systems | 191 | |
| Accelerated Detection of Interaction Fingerprints on Large-Scale Molecular Ense... | 186 |
