Yuanqing Wang
Employers on the program
- 2023New York University1 talk
- 2019Weill Cornell Medicine - Population Health Sciences1 talk
Appearances by year
- PyData
- SciPy Conference (Scientific Computing with Python)
Talks
| Date | Event | Conference | Role | Title | Links |
|---|---|---|---|---|---|
| Jul 10, 2023 | SciPy 2023 | SciPy Conference (Scientific Computing with Python) | speaker | From Espaloma to SAKE: To brew, distill, and mix force fields with balanced briskness, smoothness, and intricacy. as NYU Force fields (FF)—the (parametrized) mapping from geometry to energy, are a crucial component of molecular dynamics (MD) simulations, whose associated…Show lessForce fields (FF)—the (parametrized) mapping from geometry to energy, are a crucial component of molecular dynamics (MD) simulations, whose associated Boltzmann-like target probability densities are sampled to estimate ensemble observables, to harvest quantitative insights of the system. State-of-the-art force fields are either fast (molecular mechanics, MM-based) or accurate (quantum... | |
| Nov 4, 2019 | PyData New York City 2019 | PyData | speaker | Using Graph Nets (GNs) to predict molecular properties as Weill Cornell Medicine / Memorial Sloan Kettering Cancer Center In this talk we will be showing how Graph Nets (GNs)—a set of statistical models that directly operate on molecular topology by updating and aggregating…Show lessIn this talk we will be showing how Graph Nets (GNs)—a set of statistical models that directly operate on molecular topology by updating and aggregating information between atoms and bonds—can approximate per-atom, per-bond, and per-molecule properties derived by quantum mechanics (QM), with errors within the uncertainty thereof, and an over-500-fold speed up | Video |
Frequent co-speakers
| Speaker | Shared events | Shared talks | Last together |
|---|---|---|---|
| Allen Downey | 2 | — | 2023 |
| Bryan Van de Ven | 2 | — | 2023 |
| Francesc Alted | 2 | — | 2023 |
| Gil Forsyth | 2 | — | 2023 |
| Julia Signell | 2 | — | 2023 |
| Ralf Gommers | 2 | — | 2023 |
| Saul Shanabrook | 2 | — | 2023 |
| Thomas J. Fan | 2 | — | 2023 |
| Chaya D Stern | 1 | 1 | 2019 |
Speakers with the same name are merged into one entry, so this page may combine more than one person. Affiliations are shown as each conference listed them.