☆32May 12, 2026Updated 5 months ago
Alternatives and similar repositories for PyConSolv
Users that are interested in PyConSolv are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Yasara Plugin for QM calculations☆15Oct 7, 2026Updated 3 weeks ago
- scripts to find PBD structures for cancer driver proteins☆31Feb 27, 2026Updated 8 months ago
- mirror of https://zhanglab.ccmb.med.umich.edu/EDTSurf/☆10Jun 20, 2023Updated 3 years ago
- Public version for DistPepFold☆10Jul 17, 2025Updated last year
- Lamarckian Evolutionary Algorithm for de novo Drug Design☆27Mar 3, 2023Updated 3 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.
- Data and analysis scripts for understanding molecular entropies, including conformer flexibility☆13Mar 29, 2021Updated 5 years ago
- Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…☆18Nov 14, 2023Updated 2 years ago
- ☆101Feb 24, 2025Updated last year
- ☆15Jul 5, 2022Updated 4 years ago
- This repository gathers the NNAIMGUI code along with some instructions and readme files.☆10Mar 22, 2024Updated 2 years ago
- ☆18Aug 5, 2023Updated 3 years ago
- ☆10Feb 17, 2023Updated 3 years ago
- Unified Free Energy Dynamics (UFED) simulations with OpenMM☆38Oct 17, 2026Updated last week
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Jun 10, 2023Updated 3 years 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.
- Lightweight induced fit docking☆22May 22, 2023Updated 3 years ago
- use interpretable machine learning to explain chemical reactions☆13Oct 9, 2021Updated 5 years ago
- ☆11Oct 3, 2026Updated 3 weeks ago
- ColabReaction☆22Dec 31, 2025Updated 9 months ago
- Updated version of Silicos-it's pharmacophore-based alignment tool (Align-it)☆15Jan 26, 2022Updated 4 years ago
- The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.☆34Mar 14, 2026Updated 7 months ago
- ☆14Oct 9, 2024Updated 2 years ago
- Molecular filtering for drug discovery.☆79Oct 1, 2026Updated 3 weeks ago
- asyncmd is a library to write concurrent code to run and analyze molecular dynamics simulations using pythons async/await syntax. Computa…☆20Jul 16, 2026Updated 3 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Python package built on NAMD/OpenMM and OpenMMTools to perform binding free energy calculations using the TIES protocol.☆34Dec 10, 2023Updated 2 years ago
- HIPPOS Is PyPLIF On Steroids. A Molecular Interaction Fingerprinting Tool for Docking Results of Autodock Vina and PLANTS☆32Aug 15, 2023Updated 3 years ago
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆382Updated this week
- Python API for Pharmer☆12Jun 14, 2019Updated 7 years ago
- tmQM dataset files☆79Mar 17, 2025Updated last year
- MaPhi is a program written in python for Linux, which compute descriptors for a set of molecules for chemoinformatics studies.☆14Jan 27, 2023Updated 3 years ago
- ☆13May 24, 2026Updated 5 months ago
- Free Parametrization for Small Molecules☆66Jun 30, 2026Updated 4 months ago
- Multiscale Simulation Tool for Backmapping☆22Mar 13, 2026Updated 7 months ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Tutorial to build AMBER compatable protein+lipid systems☆17Apr 19, 2017Updated 9 years ago
- App for serotonergic targets☆12Jan 8, 2026Updated 9 months ago
- A streamlit web application for running PyFock interactively on the web or your own PC.☆15Sep 15, 2026Updated last month
- ARCHIVED legacy compatibility bridge. Active development continues at SergeiNikolenko/Burette.☆21Sep 11, 2026Updated last month
- A deep reinforcement learning library for conformer generation.☆21Apr 15, 2024Updated 2 years ago
- Parallel Molecular Docking using PLANTS software☆15Dec 8, 2024Updated last year
- ☆23Dec 11, 2024Updated last year