ParmEd is a package designed to facilitate creating and easily manipulating molecular systems that are fully described by a common classical force field. Supported force fields include Amber, CHARMM, AMOEBA, and several others that share a similar functional form (e.g., GROMOS).

node-libpq attempts to mirror as closely as possible the C API provided by libpq and provides the absolute minimum level of abstraction. It is intended to be extremely low level and allow you the same access as the libpq in C.

ProDy is a free and open-source Python package for protein structure, dynamics, and sequence analysis. It allows for comparative analysis and modeling of protein structural dynamics and sequence co-evolution. Fast and flexible ProDy API is for interactive usage as well as application development. ProDy also comes with several analysis applications and a graphical user interface for visual analysis.

An implementation of functions to optimize ordering of nodes in a dendrogram, without affecting the meaning of the dendrogram. A dendrogram can be sorted based on the average distance of subtrees, or based on the smallest distance value. These sorting methods improve readability and interpretability of tree structure, especially for tasks such as comparison of different distance measures or linkage types and identification of tight clusters and outliers. As a result, it also introduces more meaningful reordering for a coupled heatmap visualization. This method is described in "dendsort: modular leaf ordering methods for dendrogram representations in R", F1000Research 2014, 3: 177 <doi:10.12688/f1000research.4784.1>.

Fast procedures for small set of commonly-used, design-appropriate estimators with robust standard errors and confidence intervals. Includes estimators for linear regression, instrumental variables regression, difference-in-means, Horvitz-Thompson estimation, and regression improving precision of experimental estimates by interacting treatment with centered pre-treatment covariates introduced by Lin (2013) <doi:10.1214/12-AOAS583>.

SimGrid is a toolkit that provides core functionalities for the simulation of distributed applications in heterogeneous distributed environments. SimGrid can be used as a Grid simulator, a P2P simulator, a Cloud simulator, a MPI simulator, or a mix of all of them. The typical use-cases of SimGrid include heuristic evaluation, application prototyping, and real application development and tuning.