In other words, the position and element type of each atom are affected by all other atoms within the molecular system. Secondly, auto-regressive sampling for molecules usually suffers from the ‘early stopping’ problem. Specifically, the model tends to generate molecules with a small number of...
Editscript is a library designed to extract the differences between two Clojure/Clojurescript data structures as an "editscript", which represents the minimal modification necessary to transform one to another. Currently, this library can diff and patch any nested Clojure/Clojurescript data structures ...
Use line breaks between control flow statements and returns. # Yes: function foo(bar; verbose=false) if verbose println("baz") end return bar end # Ok: function foo(bar; verbose=false) if verbose println("baz") end return bar endNamedTuple...
Keywords:steelheattreatment;quenching;partitioning;elementdistribution;diffusion;microstructure 1.Introduction Steelafterquenchingandpartitioning(Q&P)process wasfirstlyaustenitizedandthencooledrapidlydowntoa temperaturebetweenthemartensitictransformationstart ...
Understanding the structural determinants of a protein’s biochemical properties, such as activity and stability, is a major challenge in biology and medicine. Comparing computer simulations of protein variants with different biochemical properties is an
element. At room temperature, some elements are gases (in a gas, there are larger spaces between the (molecules ). In the Noble Gases, each molecule has only one atom, because the atoms of these elements do not form chemical bonds with each other. In other gases, however, the molecules...
According to that, the balance between structure and properties must be obtained. In the indicate that the case of melt-spun ribbons, the obtained values of simultaneous addition of copper and chromium iAml8p5r(oNvie,sFteh, eCcuo, rCror)s1i0oYn5 alloy with resistance, crystallites which...
+ | align="center" | [[File:Helium atom QM.svg|300px|right|[[氦]]原子基态]] + |- + | align="center" | 氦原子结构示意图。图中灰阶显示对应[[电子|电子]][[电子云|云]]于1s[[原子轨域]]之[[机率密度函数]]的积分强度。而[[原子核]]仅为示意,[[质子]]以粉红色、[[中子]]以紫色表示...