Scientific Archives - Page 24 of 35

CP2K – atomistic simulations of solid state, liquid, molecular and biological systems

CP2K is a free and open source quantum chemistry and solid state physics software package that can perform atomistic simulations.

Open Babel is a version of the Babel chemistry file translation program. Convert, analyze, or store data from molecular modeling.

Gabedit is a graphical user interface to Gamess-US, Gaussian, Molcas, Molpro, MPQC, PCGamess and Q-Chem computational chemistry packages.

Jmol is a Java viewer for three-dimensional chemical structures with features for chemicals, crystals, materials and biomolecules.

Kalzium is a chemistry application for KDE 5, including a Periodic Table of Elements, chemical reference, chemical equation solver, and more.

XDrawChem is a 2D editor for chemical structures and reactions. It mirrors the abilities of the commercial ChemDraw suite.

MoleQueue is a C++ desktop application for abstracting, managing, and coordinating the execution of tasks.

BKChem is a free and open source 2D molecule editor written in Python. It has a wealth of features but is simple to use.

MITIE: MIT Information Extraction offers state-of-the-art information extraction tools. MITIE is free and open source software.

text2vec is an R package which provides an efficient framework with a concise API for text analysis and natural language processing (NLP).

Moses is a statistical machine translation system to automatically train translation models for any language pair.

TiMBL is an open source tool for NLP research, and for many other domains where classification tasks are learned from examples.

MeTA is a C++ data sciences toolkit. A suite of natural language processing, classification, information retrieval, data mining, and more.

CRF++ is a simple, customizable, and open source implementation of Conditional Random Fields (CRFs) for segmenting/labeling sequential data.

BLLIP Parser is a statistical natural language parser including a generative constituent parser and discriminative maximum entropy reranker.