Skip to content
View isayev's full-sized avatar
👨‍💻
busy writing proposals
👨‍💻
busy writing proposals
258 followers · 49 following

Achievements

Achievement: Starstruckx2Achievement: Arctic Code Vault ContributorAchievement: Pull Shark

Achievements

Achievement: Starstruckx2Achievement: Arctic Code Vault ContributorAchievement: Pull Shark

Highlights

  • Pro

Organizations

@aiqm

Block or report isayev

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Please don't include any personal information such as legal names or email addresses. Maximum 100 characters, markdown supported. This note will be visible to only you.
Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse

Pinned Loading

  1. ASE_ANI ASE_ANI Public

    ANI-1 neural net potential with python interface (ASE)

    Python 219 56

  2. ReLeaSE ReLeaSE Public

    Deep Reinforcement Learning for de-novo Drug Design

    Jupyter Notebook 351 135

  3. ANI1_dataset ANI1_dataset Public

    A data set of 20 million calculated off-equilibrium conformations for organic molecules

    Python 96 18

  4. COMP6 COMP6 Public

    COMP6 Benchmark dataset for ML potentials

    39 4