A tool to create pixel-accurate energy diagrams as ChemDraw object
☆77Feb 2, 2025Updated last year
Alternatives and similar repositories for Energy_Diagram_Plotter_CDXML
Users that are interested in Energy_Diagram_Plotter_CDXML are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A simple program to solve the Eyring Equation and first/second order kinetics.☆22Jun 23, 2025Updated last year
- Reliable explanation and ways to solve the error messages for the Gaussian quantum chemistry program. This is a per request English trans…☆94Jun 1, 2023Updated 3 years ago
- A collection of frequency scale factors from various sources.☆17Mar 15, 2023Updated 3 years ago
- ☆21Feb 1, 2025Updated last year
- Strain Visualization for Inherently Strained Organic Molecules☆27Jul 3, 2026Updated 3 weeks ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Orbital transfer and automatic multi-reference calculation for quantum chemistry☆76Jul 2, 2026Updated 3 weeks ago
- A Chrome extension to add Sci-HUB or Lib-Gen download icons to every DOI-link on the page, with various other small changes to make scien…☆20Oct 9, 2023Updated 2 years ago
- Python application for creating energy profile diagrams as '.svg' files. Extra analysis for catalytic cycle diagrams.☆85May 8, 2021Updated 5 years ago
- ☆16Feb 10, 2023Updated 3 years ago
- ☆41Feb 4, 2026Updated 5 months ago
- Gauge-including magnetically induced currents.☆33Dec 7, 2023Updated 2 years ago
- cp2k postprocessing tools☆80Feb 21, 2026Updated 5 months ago
- Molecular Visualization powered by Plotly☆18Aug 28, 2022Updated 3 years ago
- Fundamentals and Applications of Density Functional Theory with Interactive Live Scripts and Intuitive Codes☆21Updated this week
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Deep Potential Evolution Accelerator☆35Jul 7, 2026Updated 3 weeks ago
- An interface program between Gaussian and CFour.☆14Sep 18, 2023Updated 2 years ago
- Fully validating pure-python CP2K input file tools including preprocessing capabilities☆61Jul 20, 2026Updated last week
- Advanced ASE Transition State Tools for ABACUS and Deep-Potential☆47Updated this week
- The code corresponding to Predictive Minisci Late Stage Functionalization with Transfer Learning☆12Nov 20, 2024Updated last year
- ☆12Oct 9, 2024Updated last year
- Frontend for evaluating humans on chemistry questions☆11Sep 1, 2024Updated last year
- Semiempirical Extended Tight-Binding Program Package☆821Jul 13, 2026Updated 2 weeks ago
- autoDIAS: a python tool for an automated Distortion/Interaction Activation Strain Analysis☆20Aug 25, 2021Updated 4 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- A homebrew formula for Multiwfn☆31Updated this week
- MM and QM/MM setup for a metalloprotein using GROMACS, Chemshell and ORCA (Using the CHARMM forcefield (both in GROMACS and with Chemshe…☆28Jun 8, 2024Updated 2 years ago
- Build slab models for crystal surfaces.☆18Jul 29, 2020Updated 6 years ago
- A stripped-down set of just antechamber, sqm, and tleap.☆34Sep 20, 2021Updated 4 years ago
- Generating Deep Potential with Python☆76Jul 16, 2026Updated last week
- CREST - A program for the automated exploration of low-energy molecular chemical space.☆338Jun 16, 2026Updated last month
- ⌨《Fortran语言实战》是一份由Fortran爱好者(Fortran-Fans)社区驱动的Fortran语言编程实战教程。☆47Dec 29, 2023Updated 2 years ago
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated 2 years ago
- Command line tool providing BOSS generated OPLS-AA/CM1A(-LBCC) parameters for organic molecules and ligands.☆11Oct 5, 2017Updated 8 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆13Oct 10, 2024Updated last year
- LASP python library including scripts and auto-NNtrain workflow☆20Nov 16, 2023Updated 2 years ago
- Data efficient active learning for machine learning potentials☆18Jul 7, 2026Updated 3 weeks ago
- Equivariant network to predict activation barriers and molecular orbitals through coefficients of molecular orbitals.☆14Feb 13, 2024Updated 2 years ago
- Mirror of pDynamo computational chemistry software, which does not currently use a public version control repository☆10Feb 23, 2017Updated 9 years ago
- 《现代量子化学》汉化版☆186Jun 22, 2026Updated last month
- A standalone library of the GFN-FF method. Extracted in large parts from the xtb program.☆22Jul 12, 2026Updated 2 weeks ago