The Deep Dive: Fast CSP and the UMA Revolution in Molecular Crystals

We explore crystal structure prediction for molecular crystals, why traditional DFT is accurate but slow, and how the open-source FastCSP workflow powered by UMA — a machine‑learning interatomic potential trained on the OMC25 dataset — delivers DFT-like accuracy at a fraction of the cost. Discover how high-throughput screening unlocks new medicines, organic electronics, and energy materials, and why democratizing these tools matters for accelerated discovery.

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