Subset of AmberTools, with updates and modifications
☆16Mar 18, 2026Updated last week
Alternatives and similar repositories for AmberClassic
Users that are interested in AmberClassic 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 stripped-down set of just antechamber, sqm, and tleap.☆34Sep 20, 2021Updated 4 years ago
- A quick tutorial for modern materials science, should the reader be not familiar with it and just wishing to crack the data☆16Aug 24, 2025Updated 7 months ago
- Grace (xmgrace) plotting tool☆13May 25, 2017Updated 8 years ago
- Misc. FPGA Projects☆15May 27, 2025Updated 10 months ago
- Compare molecular structures after energy minimization in various force fields.☆10Aug 22, 2020Updated 5 years ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- ☆15Apr 7, 2022Updated 3 years ago
- Tool to compute bond and angle force field parameters with the Seminario method☆14Apr 15, 2018Updated 7 years ago
- FFTFPGA is an OpenCL based library for Fast Fourier Transformations for FPGAs. This repository provides OpenCL host code in the form of F…☆15Mar 31, 2022Updated 3 years ago
- GNEprop is a graph neural network-based model to predict antibacterial activity from molecular structures in virtual screening settings.☆42Oct 30, 2025Updated 4 months ago
- code and source data for de novo design of Kemp elimination paper☆24Sep 18, 2025Updated 6 months ago
- A manually curated lists of software, publications and other resources related to the analysis of HDX-MS data.☆11Dec 15, 2025Updated 3 months ago
- QRNAS: Quick Refinement of Nucleic Acid Structures☆18Apr 30, 2025Updated 10 months ago
- Wallace and Dadda tree multiplier generator in vhdl and verilog☆13Mar 14, 2026Updated last week
- This script makes a cyclic peptide or cyclic nucleotide topology file for GROMACS out of (specially prepared) linear molecule topology fi…☆14Nov 24, 2020Updated 5 years ago
- 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.
- Blazingly fast, modern C++ API using coroutines for efficient RTL verification and co-simulation via the VPI interface☆17Mar 10, 2026Updated 2 weeks ago
- An open source cross-platform software for the computation of in solution and precipitation chemical equilibria☆15Updated this week
- BMRB data visualization tools using python Plotly☆15Aug 21, 2025Updated 7 months ago
- Deep Neural Networks for Analysing NMR time domain data☆13Sep 26, 2024Updated last year
- ☆32Jan 12, 2026Updated 2 months ago
- ✏️ A web app for visualising hypotrochoids and epitrochoids.☆17Sep 25, 2018Updated 7 years ago
- Шаблон п резентации для квалификационных работ☆25Jun 24, 2024Updated last year
- The standalone version / cli-tool of SPOT-Contact-Single available for public use for research purposes.☆16Feb 1, 2024Updated 2 years ago
- Python wrapper for pgapack, the parallel genetic algorithm library☆18Jul 16, 2025Updated 8 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- UCBShift is a program for predicting chemical shifts for backbone atoms and β-carbon of a protein in solution. It utilizes a machine lear…☆24Jun 10, 2025Updated 9 months ago
- Why debate R vs python, when you can convert R to python?☆16Apr 24, 2020Updated 5 years ago
- ☆45Sep 5, 2024Updated last year
- A Python plugin for using Ocean with Amazon Braket☆22Sep 26, 2023Updated 2 years ago
- ☆22Mar 20, 2026Updated last week
- HDXer is a package to compute Hydrogen-Deuterium exchange data from biomolecular simulations, compare to experiment, and perform ensemble…☆21Apr 17, 2023Updated 2 years ago
- Python version of the modified Seminario method code☆17Nov 15, 2020Updated 5 years ago
- A prototype an algorithm to calibrate the CBCT geometry☆23Nov 13, 2025Updated 4 months ago
- Quantum to Molecular Mechanics (Q2MM)☆22Updated this week
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Python script that receives a molecular dynamics or Monte Carlo trajectory and performs agglomerative clustering to classify similar stru…☆27Nov 1, 2025Updated 4 months ago
- An Online Tool for the Real-Time Kinetic Analysis of Binding Events☆14Jul 13, 2025Updated 8 months ago
- A collection of tools for DNA modelling☆23Aug 9, 2025Updated 7 months ago
- ☆17Sep 4, 2022Updated 3 years ago
- Quantum to Molecular Mechanics (Q2MM)☆26Feb 10, 2026Updated last month
- A Tutorial for quasi Markov State Model(qMSM) developed by Huang Group, Dept of Chemistry at UW-Madison☆19Jun 6, 2023Updated 2 years ago
- A semi-opinionated tmux config to get started☆28Jan 3, 2023Updated 3 years ago