Chas McGill
@chas-mcgill.bsky.social
Asst Prof in Chemical Engineering @VCU. Formerly postdoc @MITChemE. Machine learning and computational chemistry research.
mcgillresearchgroup.com
mcgillresearchgroup.com
Check out our new model! EquiNet lets you predict vapor-liquid-equilibrium for new binary systems.
The model predicts both activity coefficients and vapor pressures for the system. You can make VLE envelope predictions with just the SMILES and temperature or pressure.
#compchem
The model predicts both activity coefficients and vapor pressures for the system. You can make VLE envelope predictions with just the SMILES and temperature or pressure.
#compchem
November 2, 2025 at 1:58 AM
Check out our new model! EquiNet lets you predict vapor-liquid-equilibrium for new binary systems.
The model predicts both activity coefficients and vapor pressures for the system. You can make VLE envelope predictions with just the SMILES and temperature or pressure.
#compchem
The model predicts both activity coefficients and vapor pressures for the system. You can make VLE envelope predictions with just the SMILES and temperature or pressure.
#compchem
Hi Bluesky. I’m belatedly migrating over here looking for the old comp chem community from twitter.
November 2, 2025 at 1:26 AM
Hi Bluesky. I’m belatedly migrating over here looking for the old comp chem community from twitter.