Skip to content
@cresset-group

Cresset

Popular repositories Loading

  1. dftd3 dftd3 Public

    A dispersion correction for density functionals, Hartree-Fock and semi-empirical quantum chemical methods DFT-D3

    Forth 1 1

  2. grand grand Public

    Forked from qyuan7/grand

    A Python module for carrying out GCMC insertions and deletions of water molecules in OpenMM.

    Python 1 1

  3. REINVENT4 REINVENT4 Public

    Forked from MolecularAI/REINVENT4

    AI molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design and molecule optimization.

    Python 1

  4. openmm openmm Public

    Forked from openmm/openmm

    OpenMM is a toolkit for molecular simulation using high performance GPU code.

    C++

  5. ngl ngl Public

    Forked from nglviewer/ngl

    WebGL protein viewer

    TypeScript

  6. docker-postgres-rdkit docker-postgres-rdkit Public

    Forked from mcs07/docker-postgres-rdkit

    PostgreSQL Docker image with RDKit cartridge

    Dockerfile

Repositories

Showing 10 of 27 repositories

People

This organization has no public members. You must be a member to see who’s a part of this organization.

Top languages

Loading…

Most used topics

Loading…