The Amsterdam Modeling Suite 2024 has just been released. The Amsterdam Modeling Suite is used by researchers in all areas of chemistry, materials science, and engineering. The release notes are here .
- Train custom M3GNet ML potentials with ParAMS
- Fine-tune the universal M3GNet potential for your chemistry
- Committee models for uncertainty estimation
- Simple active learning workflow
- Set up any MD simulation and reference engine
- Generate training data and retrain the model on-the-fly
- AIMNet2: new pre-trained ML model suitable for molecules and ions
- Non-metallic elements
- Very good for generating or ranking conformers
- And much more
Make sure you have the right version of AMS for your CPU architecture before proceeding:
- If you have an M1/M2/M3 mac, download the version labeled Apple Silicon.
- if you are using an x86_64 Intel mac, download the version labeled x86-64, Intel 64-bit.
AMS2024 is the last version of AMS to support the x86-64 Intel macOS platform.