cgnieder / chemformulaLinks
typeset chemical compounds and reactions
☆26Updated last year
Alternatives and similar repositories for chemformula
Users that are interested in chemformula are comparing it to the libraries listed below
Sorting:
- comprehensive support for typesetting chemistry documents☆40Updated last year
- Visualization and editing of periodic molecular structure files.☆27Updated 8 months ago
- Course repository for 06-640 - Molecular simulation☆25Updated 13 years ago
- GW100 data repository and post processing tools☆14Updated 2 weeks ago
- Finite element methods for electronic structure calculations on small systems☆41Updated 2 months ago
- Fortran and Python library to predict material interface structures☆21Updated last month
- Library for Green’s function based electronic structure theory calculations☆28Updated last month
- Book on Chemical Reactions and Dynamical Systems☆14Updated 2 years ago
- Algorithms for fast alignment of structures in finite and periodic systems.☆14Updated 3 years ago
- ☆19Updated 3 years ago
- Simple microcanonical Molecular Dynamics simulation of a Lennard-Jones fluid in a periodic boundary☆10Updated 7 years ago
- This is a collection of answers to a SM book written by R. K. Pathria & Paul D. Beale. Lecture notes can be added too.☆36Updated 6 years ago
- Routines for Radial Integration of Dirac, Schrödinger, and Poisson Equations☆83Updated 11 months ago
- python wrappers for generating training files for the ReaxFF code☆24Updated 11 years ago
- Quantum Monte Carlo Kernel Library☆39Updated last week
- The official OpenMolcas repository is at https://gitlab.com/Molcas/OpenMolcas, this is only a mirror. OpenMolcas is a quantum chemistry s…☆67Updated 3 weeks ago
- This plugin enables VMD to display data stored in h5 files that are structured according to the H5MD specifications (http://nongnu.org/h5…☆11Updated 6 years ago
- Molecular Dynamics in the Open☆85Updated 2 months ago
- The database of chemical parameters used with Reaction Mechanism Generator☆119Updated last week
- Gauge-including magnetically induced currents.☆31Updated 2 years ago
- PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.☆26Updated last week
- Library for chemical kinetics in homogeneous or isotropically symmetric inhomogenous systems.☆15Updated 2 years ago
- Symmetry data and utilities related to crystallography and X-ray scattering☆27Updated 2 years ago
- Coarse-graining potentials from atomistic references made easy☆26Updated 4 years ago
- Aquarius is a parallel quantum chemistry package built on the Cyclops Tensor Framework which provides high-performance structured tensor …☆28Updated last year
- An event-driven particle simulator and visualisation code. Please see the website below for more information.☆57Updated 4 months ago
- Data science and machine learning in chemical engineering☆24Updated 5 years ago
- Longbow is a tool for automating simulations on a remote HPC machine. Longbow is designed to mimic the normal way an application is run l…☆18Updated 3 weeks ago
- This software allows users to perform statistical test to determine if a given molecular simulation is consistent with the thermodynamic …☆14Updated 7 years ago
- molekel☆10Updated last month