search

MobleyLab / benchmarksets

Benchmark sets for binding free energy calculations: Perpetual review paper, discussion, datasets, and standards
BSD 3-Clause "New" or "Revised" License
42 stars 16 forks source link

Decide whether to write and include info on what new benchmarks are most needed #9

Open davidlmobley opened 8 years ago

davidlmobley commented 8 years ago

Originally, I'd planned to write material on what new benchmark systems are most needed (i.e. what attributes they should have or problems they should exemplify -- water sampling problems, for example?) but I ran out of space before getting to this.

Perhaps this should still be done; input will be helpful.