10 skills found
jschrier / SynthGPTCode and Data for "Large Language Models for Inorganic Synthesis Prediction"
OctaDist / OctaDistA tool for calculating distortion parameters in coordination complexes.
petrusen / PomsimulatorChemistry toolkit for simulating the aqueous speciation of metal-oxo clusters
radi0sus / XyzalignAlign atomic coordinates in xyz files. Align one or more atoms to x-, y- and z-axes. Set origin to a selected atom or a centroid of selected atoms. Rotate atomic coordinates about arbitrary angles. Translate atomic coordinates.
radi0sus / XyzoverlayPython 3 script for overlaying or superimposing two or more molecules. The overlayed / superimposed molecules can be displayed and the modified coordinates can be saved as xyz files. Coloring by atom or molecule is possible.
patricklbell / Chemical VisualizerView PDB and MOL file's 3D structures
geoffreyweal / ORCA Mechanism ProcedureThis article has been written to help chemists to run mechanistic studies in ORCA
sekocha / RecommenderRecommender system database for finding unknown inorganic compounds
brandonhimpfen / Awesome ChemistryA curated list of resources for chemistry, spanning theory, computation, laboratory tools, open datasets, cheminformatics, molecular modeling, and learning materials across organic, inorganic, physical, analytical, and materials chemistry.
MagnusCaesar / Inorganic Chemistry For 11th And 12th NCERT JEE NEETThis is my deck for Inorganic chemistry based only on NCERT
