Cheminformatics Fingerprint Formats

Members:

2

The FPF project goals are to define and promote two file formats for storing and exchanging cheminformatics fingerprint data sets. Currently in the early specification stage.

Chemistry's library

Members:

1

This is the library for the decision of chemistry. And this library can we used for create virtual molecule, atoms, and other chemistry capuscules. And I plan use this application for other problemmes.

Electrostatic potentials thru NN

Members:

1

This project intends to develop a method of calculating atomic charges using neural networks approach. While traditional methods rely on quantum chemistry, this one is faster and requires less compute power. The project's status is pre-alpha.

Members:

1

Periodic table of the chemical elements for Java (J2ME) enabled devices.