The Community repo is to store all the information about openEuler Community, inclouding governance, SIGs(project teams), Communications and etc.
AmberTools consists of several independently developed packages that work well by themselves, and with Amber22 itself. The suite can also be used to carry out complete molecular dynamics simulations, with either explicit water or generalized Born solvent models.
FreeSurfer is a software package for the analysis and visualization of neuroimaging data from cross-sectional and longitudinal studies. It is developed by the Laboratory for Computational Neuroimaging at the Martinos Center for Biomedical Imaging.
The Tinker molecular modeling software is a complete and general package for molecular mechanics and dynamics, with some special features for biopolymers. Tinker has the ability to use any of several common parameter sets, such as Amber (ff94, ff96, ff98, ff99, ff99SB), CHARMM (19, 22, 22/CMAP), Allinger MM (MM2-1991 and MM3-2000), OPLS (OPLS-UA, OPLS-AA), Merck Molecular Force Field (MMFF), Liam Dang's polarizable model, and the AMOEBA, AMOEBA+ and HIPPO polarizable atomic multipole force fields. Parameter sets for other widely-used force fields are under consideration for future releases.
REgularised LIkelihood OptimisatioN: employs an empirical Bayesian approach to refinement of 3D reconstructions or 2D class averages in electron cryo-microscopy
Tandem Repeats Finder is a program to locate and display tandem repeats in DNA sequences.
oepkgs-management仓库是https://gitee.com/src-oepkgs 组织仓的管理仓库，通过提PR向oepkgs-management仓库提交两个配置文件，ci-robot会自动化在https://gitee.com/src-oepkgs 组织仓创建仓库和分支，并添加仓库管理人员
NWChem: Open Source High-Performance Computational Chemistry. The NWChem development strategy is focused on providing new and essential scientific capabilities to its users in the areas of kinetics and dynamics of chemical transformations, chemistry at interfaces and in the condensed phase.
WHole-genome Alignment Metrics (wham) is a structural variant (SV) caller that integrates several sources of mapping information to identify SVs. wham classifies SVs using a flexible and extendable machine-learning algorithm (random forest). wham is not only accurate at identifying SVs, but its association test can identify shared SVs enriched in a cohort of diseased individuals compared to a background of healthy individuals.
Quantum ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials.
RepeatModeler is a de novo transposable element (TE) family identification and modeling package. At the heart of RepeatModeler are three de-novo repeat finding programs ( RECON, RepeatScout and LtrHarvest/Ltr_retriever ) which employ complementary computational methods for identifying repeat element boundaries and family relationships from sequence data. RepeatModeler assists in automating the runs of the various algorithms given a genomic database, clustering redundant results, refining and classifying the families and producing a high quality library of TE families suitable for use with RepeatMasker and ultimately for submission to the Dfam database ( http://dfam.org ).
