Molecule aids in the development and testing of Ansible roles
Graph-based molecule modeling toolkit for cheminformatics
A Julia package for solving systems of polynomials
Message Passing Neural Networks for Molecule Property Prediction
Compose Multiplatform Navigation && State Management
2D molecule editor
MzDOCK is A Virtual Screening Tool For Drug Discovery Research
Java science library.
Applications for data management
Software for molecular simulations and trajectory analysis
Critical Assessment of Small Molecule Identification
A tool for analysis and visualization of single-molecule tracking data
A distributed graph deep learning framework.
Where SPM images and molecular models meet
Modular and comprehensive toolkit for use in cheminformatics
Molecular Dynamics Cell Construction
a Toolset for Molecular Mechanical Force Field Parameterization
GUI for fitting 3D single-molecule images using the double-helix PSF
Correlated confocal and SMLM data visualization and analysis
GUI for MOPAC, DFTB+, GAMESS, Firefly, NWChem, ORCA and PSI4
Predicting Organic Reactions using Neural Networks.