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Welcome to MolCrafts Project!

What is MolCrafts?

MolCrafts is a modern project designed to serve as a dedicated platform for computational chemistry researchers. Our mission is to empower scientists by providing them with a streamlined environment to focus on their scientific pursuits without being bogged down by the complexities of tech stacks.

Family of Molcrafts

work in progress

  • MolPy: Abstract representations for common concepts in computational chemistry
  • MolPot: High-performce molecular potential training and deploying framework
  • MolExp: Experiment management and workflow orchestration
  • MolVis: Interactive visualization tools

Coming soon

  • MolBuilder: Build complex model by using LEGO-like way
  • MolPack: Next generation molecule packing and configuration initializer
  • MolAna: Simulation analysis and data processing
  • MolBase: Database for storing and sharing simulation data

Features

License

All MolCrafts projects are licensed under BSD-3-Clause License. Please refer to the LICENSE file for more information.