Showing 3 open source projects for "python module"

View related business solutions
  • $300 Free Credits to Build on Google Cloud Icon
    $300 Free Credits to Build on Google Cloud

    New customers can spin up VMs, build with AI, and query data at no cost.

    Put your $300 in credit toward real workloads, then keep building with free monthly usage for 20+ products. No commitment and no charge until you upgrade.
    Start Free
  • Train ML Models With SQL You Already Know Icon
    Train ML Models With SQL You Already Know

    BigQuery automates data prep, analysis, and predictions with built-in AI assistance.

    Build and deploy ML models using familiar SQL. Automate data prep with built-in Gemini. Query 1 TB and store 10 GB free monthly.
    Start Free
  • 1

    ERmod

    Approximate solvation free energy calculator

    ERmod (Energy Representation Module) is a program to calculate the solvation free energy based on the energy representation method (J. Chem. Phys. 113, 6070 (2000)). The program allows users to calculate the solvation free energy to arbitrary solvents, including inhomogeneous systems, and can run in cooperation with state-of-art molecular simulation software, such as LAMMPS, GROMACS and/or AMBER.
    Downloads: 3 This Week
    Last Update:
    See Project
  • 2
    CAMPARI

    CAMPARI

    Software for molecular simulations and trajectory analysis

    We are proud to introduce version 5 of CAMPARI. We have added a number of new features, most notably a Python interface for interpreting user-supplied code (with the help of ForPy), a novel trajectory storage standard (with the help of libpqxx/PostgreSQL), and a module for performing transition path theory. Naturally, CAMPARI continues to provide the reference implementation of the ABSINTH force field paradigm and implicit solvation model.
    5.0 out of 5 stars 3 Reviews
    Downloads: 24 This Week
    Last Update:
    See Project
  • 3
    Olex2 is visualisation software for small-molecule crystallography developed at Durham University/EPSRC. It provides comprehensive tools for crystallographic model manipulation for the end user and an extensible development framework for programmers. The project has been supported by Olexsys Ltd since 2010.
    5.0 out of 5 stars 6 Reviews
    Downloads: 0 This Week
    Last Update:
    See Project
  • Previous
  • You're on page 1
  • Next