REINVENT4

Use when working with MolBART — a BART-based sequence-to-sequence transformer for computational chemistry and drug discovery. MolBART is pre-trained on SMILES molecular representations and supports fo

3 shared topics • 3 shared operations

CCP4 — Collaborative Computational Project Number 4 software suite for macromolecular X-ray crystallography. Provides programs for data processing (AIMLESS, POINTLESS), molecular replacement (Phaser),

2 shared topics • 3 shared operations

Use when working with OmegaFold to predict 3D protein structures from amino acid sequences without multiple sequence alignments (MSA-free). Covers single-sequence structure prediction, batch FASTA pro

2 shared topics • 3 shared operations

Chai-1 -- multi-modal foundation model for molecular structure prediction from Chai Discovery. Predicts 3D structures of proteins, nucleic acids (DNA/RNA), small molecules, glycans, ions, and their co

2 shared topics • 2 shared operations

Rosetta — comprehensive macromolecular modeling suite for protein structure prediction, protein design, docking, loop modeling, and enzyme engineering. Includes RosettaFold for deep-learning structure

2 shared topics • 2 shared operations