Scientific sites and blogs
The Curious Wavefunction Great science writing from Ashutosh.
American Mineralogist Crystal Structure Database Crystal structures which you can use to understand materials and matter.
Crystallography Open Database An open database of crystal structures.
Mindat.org The largest mineral database and mineralogical reference website on the internet.
Molecular modeling and simulation software companies
Materials Design Materials simulation software and materials property and structure databases.
Scienomics Materials and chemicals simulation software.
Atomistix First-principles simulation software for nanoscience.
Tripos Producer of Sybyl.
Chemical Computing Group Producer of MOE (the Molecular Operating Environment).
Schrödinger Producer of Maestro.
Accelrys Develops and commercializes Scientific Business Intelligence (SBI) software for the integration, mining, analysis, modeling and simulation, management and interactive reporting of scientific data. Also provides the free DS Visualizer.
The history of modeling and simulation
A history of computational chemistry NetSci's historical survey of computational chemistry.
A family tree of modeling companies A simple schematic showing the history and ancestors of companies in the molecular modeling software space.
Some early molecular modeling company literature
ChemNote, Polygen, 1986
CENTRUM, Polygen, 1987
QUANTA, Polygen, 1988
ChemX, Chemical Design Ltd ~1991