Computational chemistry {is an|is definitely an} increasingly active field {due to|because of|as a result of|on account of|resulting from|as a consequence of} the improvement of computing {resources|sources} and theoretical tools. {However|Nevertheless|Nonetheless|Even so|On the other hand|Having said that}, its use remains {usually|generally|typically|normally|commonly|ordinarily} {limited|restricted} to technically-inclined {users|customers} {due to|because of|as a result of|on account of|resulting from|as a consequence of} the technical challenges of preparing, launching and analyzing calculations. {In this|Within this} context, {we have|we’ve|we’ve got} {developed|created} CalcUS, an open-source platform to streamline computational chemistry {studies|research}. Its objective {is to|would be to|is always to|is usually to|will be to|should be to} democratize access to computational chemistry by {providing|supplying|offering|delivering|giving} a user-friendly {web|internet|net} interface to simplify {running|operating} and analyzing quantum mechanical calculations. {It is|It’s|It really is|It truly is|It can be|It is actually} freely {available|accessible|obtainable|offered|readily available|out there}, expandable and customizable. It promotes connectivity to {multiple|numerous|several|a number of|many|various} {software|software program|computer software|application} packages and algorithms, {thus|therefore|hence|as a result} {providing|supplying|offering|delivering|giving} state-of-the-art {techniques|methods|strategies|tactics|approaches|procedures} to all practitioners. We propose CalcUS as a standalone tool and infrastructure to {support|assistance|help} other open-source packages. 4-Aminooxane-4-carboxylic acid Formula 1607838-14-1 Chemical name PMID:24013184
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