| mims-harvard/TDC |
889 |
|
0 |
4 |
over 2 years ago |
32 |
January 27, 2023 |
34 |
mit |
Jupyter Notebook |
| Therapeutics Data Commons: Artificial Intelligence Foundation for Therapeutic Science |
| BenevolentAI/guacamol |
265 |
|
0 |
1 |
almost 4 years ago |
7 |
September 19, 2023 |
6 |
mit |
Python |
| Benchmarks for generative chemistry |
| sustainable-processes/summit |
92 |
|
0 |
0 |
over 2 years ago |
14 |
April 25, 2022 |
6 |
mit |
Jupyter Notebook |
| Optimising chemical reactions using machine learning |
| materialsproject/matbench |
88 |
|
0 |
2 |
about 2 years ago |
5 |
July 27, 2022 |
37 |
mit |
Python |
| Matbench: Benchmarks for materials science property prediction |
| schrodinger/gpusimilarity |
85 |
|
0 |
0 |
about 2 years ago |
0 |
|
7 |
bsd-3-clause |
C++ |
| A Cuda/Thrust implementation of fingerprint similarity searching |
| MCompChem/fep-benchmark |
63 |
|
0 |
0 |
almost 3 years ago |
0 |
|
0 |
mit |
|
| Benchmark set for relative free energy calculations. |
| GQCG/GQCP |
29 |
|
0 |
0 |
over 2 years ago |
0 |
|
61 |
lgpl-3.0 |
Jupyter Notebook |
| The Ghent Quantum Chemistry Package for electronic structure calculations |
| HPCKP/benchmarks |
10 |
|
0 |
0 |
over 13 years ago |
0 |
|
0 |
|
Shell |
| HPC Benchmarks for most popular applications in Chemistry, Physics, Biology, and some other related subjects |
| Mohan-Zhang-u/smpl |
10 |
|
0 |
0 |
about 3 years ago |
0 |
|
1 |
mit |
Jupyter Notebook |
| GC-Hg/HgBenchmark |
5 |
|
0 |
0 |
almost 8 years ago |
0 |
|
0 |
|
IDL |
| GEOS-Chem mercury benchmark |
