coleygroup/molpal
active learning for accelerated high-throughput virtual screening
Jupyter NotebookMIT
Stargazers
- aced125
- altayg
- chupvlPhiladelphia, USA
- colliner
- ddcerutiTU München
- edwinksl@bazantgroup
- fly51flyPRIS
- hypnopump
- ian-quigleyLeash Laboratories
- jamesEyoderCo-Founder, CTO @opnbnch
- Jsunseri
- kjappelbaumEPFL
- klonikarBangalore, India.
- kudkudakWarsaw
- Laksh1997
- lcollia
- leelasdYale University
- linminhtooQDX
- longkunxulukeSamsung
- MagnetonIO
- marcosfelt@Merck
- msultan
- pgagnon@astronomer
- rkakamilanJapan
- RMeli@eth-cscs
- sailfish009freelancer
- samgoldman97
- SeongokRyuGALUX
- suan12
- sun254667307
- TalhaKarabiyikTürkiye
- thu-wangz17Beijing, China
- TienMPhanTexas A&M University
- WangsujeonChangwon, Korea
- xiaolinpanNYU, chemistry
- xiaoyongzhu